N,N’-bisalicylin-1,2-propanediamine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

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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 the oil 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.

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