n,n-phenylacetamide

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:519-87-9

mdl number:none

einecs number:none

rtecs number:ab8133000

brn number:none

pubchem id:none

physical property data

1. properties: white crystalline powder, which can sublimate without decomposing.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 103

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): 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 (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): 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. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in ethanol and ether, slightly soluble in water .

toxicological data

acute toxicity: mouse intraperitoneal ld50: 600mg/kg, no details except lethal dose;

ecological data

molecular structure data

1. molar refractive index: 64.99

2. molar volume (cm³/mol): 187.6

3. isotonic specific volume (90.2k ): 488.6

4. surface tension (dyne/cm): 45.9

5. polarizability (10^-24cm³): 25.76

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 20.3

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 209

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

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

stored in a cool, dry place away from light.

synthesis method

none yet

purpose

1. organic synthesis. dye intermediates.

resource:allhdi.com