N,N-Dimethyl-1,3-propanediamine N,N-Dimethyl-1,3-propanediamine

N,N-dimethyl-1,3-propanediamine structural formula

Structural formula

Business number 02Z5
Molecular formula C5H14N2
Molecular weight 102
label

N,N-dimethyltrimethylenediamine,

dimethylaminopropylamine,

3-dimethylaminopropylamine,

N,N-dimethyl-trimethylene diamine,

dimethylamino propylamine

Numbering system

CAS number:109-55-7

MDL number:MFCD00008216

EINECS number:203-680-9

RTECS number:TX7525000

BRN number:605293

PubChem number:24864543

Physical property data

1. Properties: colorless liquid with ammonia smell. [1]

2. Melting point (℃): <-70[2]

3. Boiling point (℃) : 123[3]

4. Relative density (water=1): 0.81 (30℃)[4]

5. Relative vapor density (air=1): 3.52[5]

6. Saturated vapor pressure (kPa): 1.33 (30℃)[6]

7. Octanol/water partition coefficient: -0.45[7]

8. Flash point (℃): 37.78 (OC )[8]

9. Solubility: miscible with water and soluble in organic solvents. [9]

Toxicological data

1. Skin/eye irritation

Open irritation test: rabbit, skin contact: 100μg/24H;

Standard Draize test: rabbit, eye contact: 5mg, Severity of reaction: Moderate.

2. Acute toxicity:

Oral LD50 in rats: 1870mg/kg; LD50 in rabbit skin contact: 600μL/kg;

3 .Acute toxicity[10] LC50: 1000mg/m3 (rat inhalation, 2h)

4. Irritation No data available

5. Subacute and chronic toxicity[11] Rabbits and dogs, 60 mg/m3, 5 hours a day for 30 days, can cause eye and respiratory tract irritation and weight loss.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects[12] This substance may be harmful to the environment and is harmful to the environment. Bodies of water should be given special attention.

Molecular structure data

1. Molar refractive index: 32.46

2. Molar volume (cm3/mol): 122.0

3. Isotonic specific volume (90.2K ): 285.7

4. Surface tension (dyne/cm): 30.1

5. Polarizability: 12.87

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 29.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 35.1

p>

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. It is more flammable when exposed to open flames, high temperatures, and oxidants; high heat releases toxic gases. Highly toxic. Production equipment must be sealed to prevent running, popping, dripping and leaking. Operators should wear protective equipment to avoid direct contact with this product.

2. This product is highly toxic. This product can cause serious damage if swallowed or inhaled. Strongly irritating to skin. Rat oral administration: LD501870mg/kg. Production equipment should be sealed to prevent running, emitting, dripping and leaking. The operating area should be well ventilated, and operators should wear protective gear.

3. Stability[13] Stable

4. Incompatible substances[14] Strong oxidizing agent

5. Conditions to avoid contact[15] Contact with air

6. Aggregation hazards[16] No aggregation

Storage method

1. Storage precautions[17] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. The packaging must be sealed and must not come into contact with air. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

2. This product is packed in galvanized iron barrel, 170kg/barrel. Or in glass bottles, each bottle has a net weight of 0.8kg, and every 10 bottles is packed in a wooden box. Store in a cool and ventilated place. Storage period is one year. Inflammable materials, fire is strictly prohibited. Loading, unloading and fire prevention storage and transportation shall be carried out according to the regulations of flammable and toxic chemicals.

Synthesis method

Use dimethylaminopropionitrile [1738-25-6] as raw material, hydrogenate and methanol in the presence of Ni-Al catalyst, and then filter and distill to obtain 3-dimethylaminopropylamine finished product. The purity of the obtained product can reach more than 99%, and each ton of product consumes 1150kg of dimethylaminopropionitrile.

(1) First, N, N-dimethylaminopropionitrile is synthesized from acrylonitrile and dimethylamine as raw materials, and then obtained by hydrogenation.

1. Dimethylhydropropyl Synthesis of nitrile: Slowly add 33% dimethylamine aqueous solution (0.4mol) dropwise to 21.2g (0.4mol) acrylonitrile. During the dripping process, the temperature of the reaction solution is controlled at 10-15°C. The dripping time is about 2-3h. Stir at the same temperature for 3-4 hours and let stand overnight. Distill under reduced pressure at 5.33KPa, collect the 82-84°C fraction, and obtain 36.4 dimethylaminopropionitrile intermediate product.

2. Synthesis of dimethylpropylenediamine Add 300kg dimethylaminopropionitrile and 1.2g catalyst into the autoclave, seal it, replace the air in the autoclave with nitrogen three times, and then press in about 40g of liquid Ammonia, add air, react at 60-70℃, 2.0-3.0MPa for 1.5h. The crude product obtained from the reaction is distilled to obtain the finished product.

(2) In clean 500ml In the beaker, add 20g of acrylamide and 25ml of epichlorohydrin respectively, and add NAOH to adjust the pH value of the reaction medium. Stir the reaction at 40°C for 12 hours. After cooling, 80 ml of 33% dimethylamine aqueous solution is added dropwise in a sealed manner, dried with anhydrous sodium sulfate at room temperature for several times, and then continuously extracted with chloroform several times to obtain a light yellow oily liquid. The yield is about 82%. After drying, the product was dissolved in a small amount of water, and sodium tetraphenylborate solution was added dropwise. A large amount of white precipitate immediately formed, which can be confirmed to be DMAPA with a positive nitrogen cation structure.

Purpose

1. Used as an organic synthesis intermediate to prepare dyes, ion exchange resins, epoxy resin curing agents, oils and cyanide-free electroplating additives, fiber and leather treatment agents and fungicides, etc. The molecule of this product contains both primary amine groups and tertiary amine groups. It is used as an epoxy resin curing agent and has the functions of both curing agent and accelerator. Mainly used for laminated products, cast products and adhesives, etc. The general dosage is 2-6 parts.

2. Used as a curing agent for epoxy resin. The molecule of this product contains both primary amine groups and tertiary amine groups. It is used as an epoxy resin curing agent and has the functions of accelerator and accelerator. It is mainly used for laminates, cast products, adhesives, etc. The general dosage is 2 to 6 parts. This product is also used as an organic synthesis intermediate to prepare dyes, ion exchange resins and galvanizing additives.

3. Used as epoxy resin curing agent, the reference dosage is 5 to 10 parts by mass, the curing conditions are 60°C/4h+120°C/1h, and the thermal deformation temperature of the cured product is 78 to 94°C. It can also be used as a cyanide-free electroplating additive, a leather and fiber treatment agent, and an intermediate for preparing pesticides, dyes, ion exchange resins, etc. React with coconut oil ester, methyl oleate and methyl stearate to produce corresponding alkylamidopropyl betaine products, which can be used for fabric softening and household cleaning agents.

4. Used in organic synthesis and as epoxy resin curing agent. [18]

N,N’-Dimethyl-1,3-propanediamine N,N’-Dimethyl-1,3-propanediamine

N,N'-dimethyl-1,3-propanediamine structural formula

N,N'-dimethyl-1,3-propanediamine structural formula

Structural formula

Business number 033A
Molecular formula C5H14N2
Molecular weight 102.18
label

1,3-Bis(methylamino)propane,

N,N′-Dimethyltrimethylenediamine,

linear compound

Numbering system

CAS number:111-33-1

MDL number:MFCD00008292

EINECS number:203-859-1

RTECS number:None

BRN number:773668

PubChem number:24858649

Physical property data

1. Characteristics: Colorless liquid.


2. Density (g/mL,20):0.817


3. Relative vapor density (g/mL,air =1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,normal pressure):145


6. Boiling point (ºC, kPa): Undetermined


7. Refractive index:1.4375-1.4395


8. Flashpoint (ºC):20


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,25ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: soluble in water.

Toxicological data

None

Ecological data

Slightly harmful to water bodies.

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 32.40


2. Molar volume (m3/mol):128.7


3. isotonic specific volume (90.2K):286.9


4. Surface Tension (dyne/cm):24.7


5. Polarizability10-24cm3):12.84

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 25.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides, acids, and carbon dioxide.

Storage method

Save in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.

Synthesis method

None

Purpose

None

isotonic ratio (90.2K): 286.9


4. Surface Tension (dyne/cm):24.7


5. Polarizability10-24cm3):12.84

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 25.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides, acids, and carbon dioxide.

Storage method

Save in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.

Synthesis method

None

Purpose

None

N,N-Diethyl-1,3-propanediamine N,N-Diethyl-1,3-propanediamine

N,N-diethyl-1,3-propanediamine structural formula

Structural formula

Business number 02QM
Molecular formula C7H18N2
Molecular weight 130.23
label

Diethylaminopropylamine,

Diethylaminopropane,

N,N-diethyl-1,3-diaminopropane,

3-diethylaminopropylamine,

Diethylamino propylamine,

N,N-Diethyl-1,3-diaminopropane,

3-Diethylamino propylamine,

curing agent for epoxy resin,

Nitrogen-containing compound solvents,

Extracting agent

Numbering system

CAS number:104-78-9

MDL number:MFCD00008218

EINECS number:203-236-4

RTECS number:TX7350000

BRN number:741879

PubChem number:24894238

Physical property data

1. Properties: colorless liquid with fishy smell.

2. Density (g/mL, 20℃): 0.82

3. Relative vapor density (g/mL, air=1): 4.4

4. Melting point (ºC): -60

5. Boiling point (ºC, normal pressure): 164~168

6. Freezing point (ºC): -100

7. Refractive index (20ºC): 1.4416

8. Flash point (ºC): 58

9. Vapor pressure (mmHg, 70ºC): 19.5

10. Solubility: Miscible with water.

Toxicological data

1. Skin/eye irritation: Start irritation test: rabbit skin contact, 100μg/24H

2. Acute toxicity: rat oral LD50: 1410mg/kg; rabbit skin contact LD50: 750μL /kg

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 41.73

2. Molar volume (cm3/mol): 155.0

3. Isotonic specific volume (90.2K): 365.3

4. Surface tension (dyne/cm): 30.8

5. Dielectric constant: 2.27

6. Dipole moment (10-24cm3):

7. Polarizability: 16.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 29.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 50.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants, acids, acid chlorides, acid anhydrides, and carbon dioxide. Colorless viscous liquid. Miscible with water and has an ammonia smell. It is flammable in case of open flame, high temperature and strong oxidant. Highly toxic.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants, acids, acid chlorides, acid anhydrides and carbon dioxide, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is obtained by the addition of acrylonitrile and diethylamine and then reduction. Add diethylamine into the reaction kettle, cool to 0°C, start stirring and add acrylonitrile dropwise, and the temperature will gradually increase to 7°C automatically. After adding acrylonitrile, raise the temperature to 45°C, continue stirring the reaction for 2 hours, and leave it overnight. Distill under reduced pressure to obtain diethylaminopropionitrile. Add diethylaminopropionitrile, reaction medium methanolamine saturated solution and catalyst skeleton nickel into the autoclave, introduce hydrogen gas to carry out hydrogenation reduction reaction, and the reaction temperature rises to 100°C until the reaction system no longer absorbs hydrogen. Then it is cooled and placed, and the catalyst is recovered by filtration. The filtrate is added to a distillation device to evaporate the methanol and then is fractionated to obtain the finished product.

Purpose

Since the molecule of this product contains two active hydrogens and a tertiary amine group that promotes the curing reaction of epoxy resin, it can be used as a curing agent for epoxy resin. This product cures slowly and has a long service life. It is suitable for small castings, laminates and adhesives. The dosage is 6 to 12 parts, and the curing conditions are 60℃/4h+120℃/1h. This product has low viscosity and is easy to use. Products cured with this product have good electrical properties and low-temperature characteristics, with a heat distortion temperature of about 100°C. This product is also used as solvent, extraction agent and organic synthesis intermediate.

N,N,N’,N’-Tetramethyl-1,3-propanediamine N,N,N’,N’-Tetramethyl-1,3-propanediamine

N,N,N',N'-tetramethyl-1,3-propanediamine structural formula

N,N,N',N'-tetramethyl-1,3-propanediamine structural formula

Structural formula

Business number 032G
Molecular formula C7H18N2
Molecular weight 130.23
label

Tetramethylpropylenediamine,

N,N,N’,N’-Tetramethyl-1,3-diaminepropane,

Tetramethyl-1,3-diaminopropane,

Bis[(dimethylamino)methyl]methane,

1,3-Bis(dimethylamino)propane,

linear compound

Numbering system

CAS number:110-95-2

MDL number:MFCD00008337

EINECS number:203-818-8

RTECS number:TX8400000

BRN number:None

PubChem number:24879082

Physical property data

1. Characteristics: Colorless liquid.


2. Density (g/mL,15): 0.779


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC): 95-98


5. Boiling point (ºC,normal pressure): 145-146


6. Boiling point (ºC,kPa): Undetermined


7. Refractive index: 1.4234


8. Flashpoint (ºC): 32


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,145ºC): 760


12. Saturated vapor pressure (kPa, ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


Ecological data

This substance is slightly harmful to water.

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 41.48


2. Molar volume (m3/mol):151.5


3. isotonic specific volume (90.2K):358.9


4. Surface Tension (dyne/cm):31.4


5. Polarizability10-24cm3):16.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 51.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Does not decompose at room temperature and pressure. Contact with oxidants and acids is prohibited.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and anti-static. They should be stored separately from oxidants and acids, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

w Roman’; mso-bidi-font-family: Arial”>(10-24cm3):16.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 51.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Does not decompose at room temperature and pressure. Contact with oxidants and acids is prohibited.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and anti-static. They should be stored separately from oxidants and acids, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

N,N’-Disalicylidene-1,3-propanediamine N,N’-Bis(salicylidene)-1,3-propanediamine

N,N'-disalicylicaldehyde-1,3-propanediamine structural formula

N,N'-disalicylicaldehyde-1,3-propanediamine structural formula

Structural formula

Business number 03CN
Molecular formula C17H18N2O2
Molecular weight 282.34
label

N,N’-Salicylaldehyde propylenediamine,

N,N’-disalicylidene-1,3-diaminopropane,

N,N’-Aqueous disalicylate-1,3-diaminopropane,

N,N’-disalicylicaldehyde-1,3-propanediamine,

1,3-Bis(o-hydroxybenzylideneamino)propane,

2-((E)-[((E)-3-([(E)-(2-Hydroxyphenyl)methylidene]amino)propyl)imino]methyl)phenol,

alpha,alpha’-(Trimethylenedinitrilo)di-o-cresol,

Disalicylicenepropanediamine,

Disalicylidene-1,3-propanediamine,

disalicylidenepropa,

Heterocyclic compounds

Numbering system

CAS number:120-70-7

MDL number:MFCD00002245

EINECS number:204-418-6

RTECS number:None

BRN number:2057483

PubChem number:24855082

Physical property data

None yet

Toxicological data

1, acute toxicity: rat oral LD50: 1g/kg


Mouse oral LD50: 1070mg/kg


Mouse peritoneal cavity LD50: 117mg/kg


Mouse subcutaneously LD50: 225mg/kg


Rabbit subcutaneous LD50: 790mg/kg


2, other multiple dose toxicity: livestock TDLO: 350mg/kg/4W-I


3, tumorigenic toxicity: mice subcutaneously TDLO: 1000mg/kg/25W-I

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 83.60


2. Molar volumem3/ mol253.2


3. isotonic ratio90.2K651.9


4. Surface Tension(dyne/cm)43.9


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. <SPAN style="FONT -SIZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-han��Area (TPSA):58.2


7. Heavy atoms Quantity: 21


8. Surface charge :0


9. Complexity :538


10. Number of isotope atoms:0


11. Determine the number of atomic stereocenters:0


12. Uncertain number of atomic stereocenters:0


13. Determine the number of stereocenters of chemical bonds:2


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

0 level1 lfo1; tab-stops: list 18.0pt” align=left>13. Determine the number of stereocenters of chemical bonds:2


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

1,3-Propanediamine 1,3-Propanediamine

1,3-propanediamine structural formula

1,3-propanediamine structural formula

Structural formula

Business number 02ZQ
Molecular formula C3H10N2
Molecular weight 74.12
label

1,3-diaminopropane,

propylenediamine,

H2NCH2CH2CH2NH2,

Propane-1,3-diamine,

1,3-Diaminopropane,

purifier,

Lubricant additives,

Nitrogen-containing compound solvent

Numbering system

CAS number:109-76-2

MDL number:MFCD00008228

EINECS number:203-702-7

RTECS number:TX6825000

BRN number:605277

PubChem number:24859902

Physical property data

1. Properties: colorless liquid, hygroscopic, with an ammonia smell. [1]

2. Melting point (℃): -12[2]

3. Boiling point (℃): 139.7[3]

4. Relative density (water = 1): 0.89[4]

5. Relative vapor Density (air=1): 2.5[5]

6. Saturated vapor pressure (kPa): <1.07 (20℃)[6]

7. Critical temperature (℃): 333.4[7]

8. Critical pressure (MPa): 5.12[8] sup>

9. Flash point (℃): 48.9[9]

10. Ignition temperature (℃): 350[10 ]

11. Explosion upper limit (%): 15.2[11]

12. Explosion lower limit (%): 2.8 [12]

13. Solubility: easily soluble in water, soluble in methanol and ether. [13]

14. Refractive index (20ºC): 1.4555

15. Viscosity (mPa·s, 20ºC): 2.0

Toxicological data

1. Acute toxicity[14]

LD50: 312mg/kg (rat oral); 0.2ml (178mg)/kg (Rabbit transdermal)

2. Irritation [15]

Rabbit transdermal: 50 mg, severe irritation ( open stimulus test).

Rabbit eye: 1mg, severe irritation.

Ecological data

1. Ecotoxicity[16] LC50: 13mg/L (96h) (fish)

2. Biodegradation Properties No data available

3. Non-biodegradability No data available

Molecular structure data

1. Molar refractive index: 23.01

2. Molar volume (cm3/mol): 85.4

3. Isotonic specific volume (90.2K ): 209.5

4. Surface tension (dyne/cm): 36.2

5. Polarizability (10-24cm3):9.12

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 12.4

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain atoms Number of stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Its chemical properties are polar compounds, which can form hydrogen bonds, alkylation and acylation, and can form corresponding salts with both inorganic and organic acids.

2. Stability[17] Stable

3. Incompatible substances[18] Acids, acid chlorides, acid anhydrides, strong oxidants, carbon dioxide

4. Conditions to avoid contact [19] Heating

5. Polymerization hazard[20] No polymerization

Storage method

Storage Precautions[21] Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 35℃. Keep container tightly sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Mix 1 part of dibromopropane with 8-9 parts of saturated ammonia and ethanol solution at 0°C, and leave it for 3-4 days. Evaporate to dryness, add alkali to the residue and then distill. The distillate was neutralized with hydrochloric acid. Evaporate to concentrate, cool, and dry the concentrated solution to crystallize the hydrochloride. Use alkali to decompose the hydrochloride and distill out 1,3-propanediamine.

Purpose

1. Used as organic synthesis intermediates and solvents. It is used in the synthesis of medicines and pesticides. It is an auxiliary raw material in the papermaking, textile and leather industries. It is also used in the synthesis of epoxy resin curing agents, synthetic fuel oil and lubricating oil additives.

2. Used as organic synthesis intermediates and solvents. [22]

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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Email:service@newtopchem.com

Email:technical@newtopchem.com

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