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

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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.