structural formula
| business number | 01p6 |
|---|---|
| molecular formula | c3h7no |
| molecular weight | 73.09 |
| label |
propionic acid amide, propionic amide, propionimidic acid |
numbering system
cas number:79-05-0
mdl number:mfcd00008039
einecs number:201-172-1
rtecs number:ue2975000
brn number:969258
pubchem number:24848618
physical property data
1. appearance: white flaky crystal
2. density (g/ml, 25/4℃): 1.042
3. relative vapor density (g/ml, air=1): uncertain
4. melting point (ºc): 81.3
5. boiling point (ºc, normal pressure): 213
6. boiling point (ºc, 5.2kpa): uncertain
7. refractive index (n110d): 1.418 p>
8. flash point (ºc): uncertain
9. specific rotation (º): uncertain
10. autoignition point or ignition temperature (ºc ): uncertain
11. vapor pressure (kpa, 25ºc): uncertain
12. saturated vapor pressure (kpa, 60ºc): uncertain
13. heat of combustion (kj/mol): uncertain
14. critical temperature (ºc): uncertain
15. critical pressure (kpa): uncertain
16. the logarithmic value of the oil-water (octanol/water) partition coefficient: uncertain
17. the upper limit of explosion (%, v/v): uncertain
18. lower explosion limit (%, v/v): uncertain
19. solubility: soluble in water, ethanol, ether and chloroform. can evaporate with water vapor
toxicological data
1. acute toxicity
rat inhalation lc50: 8000ppm
rabbit intravenous ldlo: 230 mg/kg
ecological data
none yet
molecular structure data
1. molar refractive index: 19.51
2. molar volume (cm3/mol): 78.8
3. isotonic specific volume (90.2k ): 185.6
4. surface tension (dyne/cm): 30.6
5. polarizability (10-24cm3): 7.73
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: 3
6. topological molecule polar surface area 43.1
7. number of heavy atoms: 5
8. surface charge: 0
9. complexity: 42.2
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
1. exist in smoke.
storage method
this product should be sealed and stored in a cool, dry place.
synthesis method
none yet
purpose
organic synthesis.
