Cis -13 – Erucic acid amide Cis -13 – Erucic acid amide

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:112-84-5

MDL number:MFCD00882379

EINECS number:204-009-2

RTECS number:None

BRN number:None

PubChem number:24856947

Physical property data

1. Properties: White flaky crystals.

2. Density (g/mL, 20℃): 0.89

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

4. Melting point (ºC): 81-82

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

6. Boiling point (ºC, KPa): Undetermined

p>

7. Refractive index: Undetermined

8. Flash point (ºC): 230

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): <1

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: Soluble in organic solvents such as ethanol and ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 107.59

2. Molar volume (cm³/mol): 386.0

3. Isotonic specific volume (90.2K ): 928.7

4. Surface tension (dyne/cm): 33.4

5. Polarizability (10^-24cm³): 42.65

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 8.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 19

5. Number of tautomers: 3

6. Topological molecule polar surface area 43.1

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 286

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: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants and acids, and is soluble in organic solvents such as ether and ethanol.

Storage method

Packaged in a black aluminum foil paper bag lined with plastic bag. Store in a cool and ventilated place.

Synthesis method

It is obtained by ammoniation and dehydration of erucic acid and ammonia under the action of catalyst.

Purpose

Mainly used as lubricant for high-pressure polyethylene, polypropylene and polyvinyl chloride, metal protective film, metal surface lubricant and dye dissolving agent, etc.