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
