N’-bis(salicylidene)-1

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

Published by BDMAEE on 2024-01-19 | Permalink

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 volume（m³/ mol）：253.2

3. isotonic ratio（90.2K）：651.9

4. Surface Tension(dyne/cm)：43.9

5. Dielectric constant:

6. Dipole moment（10 ^-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

N,N’-bis(salicylidene)-1,2-propanediamine N,N’-Bis(salicylidene)-1,2-propanediamine

Published by BDMAEE on 2023-12-26 | Permalink

Structural formula

Business number	028B
Molecular formula	C17H18N2O2
Molecular weight	282.34
label	N,N’-Disalicylic aldehyde acetyl-1,2-propanediamine, N,N’-bisalicylin-1,2-propanediamine, N,N’-Bis(o-hydroxybenzylidene)-1,2-diaminopropane

Numbering system

CAS number:94-91-7

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: yellow oily liquid.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 48

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

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific 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. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

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

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

19. Solubility: Miscible with ethanol and benzene, soluble in toluene and diamine Toluene and gasoline are insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 4560mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 83.42

2. Molar volume (cm³/mol): 252.3

3. Isotonic specific volume (90.2K ): 644.4

4. Surface tension (dyne/cm): 42.5

5. Polarizability (10-24cm3): 33.07

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 9

6. Topological molecular polar surface area (TPSA): 58.2

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 604

10. Number of isotope atoms : 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. DeterminedNumber of stereocenters of chemical bonds: 2

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Metal passivators have two applications in the oil refining industry. (1) Substances used to inhibit the catalytic effect of active metal ions (copper, iron, nickel, manganese, etc.) on oil oxidation. It is often used in combination with antioxidants in light fuels such as gasoline, jet fuel, and diesel to improve the stability of oil products and extend the storage period. Commonly used ones include N,N’-disalicylidenepropanediamine. (2) In the catalytic cracking of heavy oil, antimony compounds are commonly used as substances used to inhibit the influence of heavy metals (nickel, vanadium, copper, etc.) contained in the oil on the catalyst activity.