structural formula
| business number | 03zh |
|---|---|
| molecular formula | c12h10n2o |
| molecular weight | 198.22 |
| label |
p-nitrosodiphenylamine, 4-nitrosodiphenylamine, 4-niinylamine, 4-nitroso-diphenylamine, 4-nitroso-n-phenyl-benzenamin, 4-nitroso-n-phenylbenzenamine |
numbering system
cas number:156-10-5
mdl number:mfcd00002062
einecs number:205-848-7
rtecs number:jk0175000
brn number:none
pubchem number:24853939
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index:59.70
2. molar volume（cm3/mol）：175.4
3. isotonic specific volume（90.2k）：453.2
4. surface tension（dyne/cm) : 44.5
5. dielectric constant: none
6. dipole moment（10-24cm3）：none available
7. polarizability:23.67
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: 3
4. number of rotatable chemical bonds: 2
5. number of tautomers: 3
6. topological molecule polar surface area 41.5
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 194
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
none
storage method
none
synthesis method
none
purpose
none
� polarizability:23.67
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: 3
4. number of rotatable chemical bonds: 2
5. number of tautomers: 3
6. topological molecule polar surface area 41.5
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 194
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
none
storage method
none
synthesis method
none
purpose
none
