N-dimethylethylenediamine

N,N’-Dimethylethylenediamine N,N’-Dimethylethylenediamine

Published by BDMAEE on 2024-01-18 | Permalink

Structural formula

Business number	031V
Molecular formula	C4H12N2
Molecular weight	88.15
label	dimethyl vinyl diamine, N,N’-Dimethylvinyldiamine, N,N’-Dimethyl-1,2-ethanediamine, 1,2-Bis(methylamino)ethane, linear compound

Numbering system

CAS number:110-70-3

MDL number:MFCD00008290

EINECS number:203-793-3

RTECS number:KV4250000

BRN number:878142

PubChem number:24893484

Physical property data

1. Characteristics: Colorless Liquid , with an amine-like smell.

2. Density (g/mL,25℃): 0.818

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,normal pressure): 118-119

6. Boiling point (ºC,kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): 28

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg,ºC): 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

Acute toxicity: mouse peritoneum LD5O: 200mg/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 27.77

2. Molar volume (m³/mol）：112.1

3. isotonic specific volume (90.2K):247.2

4. Surface Tension (dyne/cm):23.5

5. Polarizability（10^-24cm³):11.00

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 17.5

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

/SUP>):11.00

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 17.5

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

N’-Benzyl-N,N-dimethylethylenediamine N’-Benzyl-N,N-dimethylethylenediamine

Published by BDMAEE on 2024-01-17 | Permalink

Structural formula

Business number	02NT
Molecular formula	C11H18N2
Molecular weight	178.27
label	N’-Benzyl-N,N-dimethylethylenediamine, N-Benzyl-n,n-dimethylenediamine

Numbering system

CAS number:103-55-9

MDL number:MFCD00008334

EINECS number:203-122-4

RTECS number:None

BRN number:2641339

PubChem number:24847769

Physical property data

1. Properties: colorless or yellow liquid

2. Density (g/mL, 20℃): 0.922

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

4. Melting point (ºC): Undetermined

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

6. Boiling point (ºC, 5mmHg): 110-112

7. Refractive index: Undetermined

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility : Undetermined

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 57.01

2. Molar volume (cm³/mol): 187.8

3. Isotonic specific volume (90.2K ): 456.8

4. Surface tension (dyne/cm): 34.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 22.60

Compute chemical data

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

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 15.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 117

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. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides and acids.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. Keep container tightly sealed. They should be stored separately from oxidants and acidic substances, 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