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N-Nitrosodiphenylamine
CAS: 86-30-6 | C12H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-30-6
Molecular Formula:
C12H10N2O
Molecular Mass:
198.22 g/mol
Names and Synonyms:
N-Nitrosodiphenylamine
Benzenamine, N-nitroso-N-phenyl-
Diphenylamine, N-nitroso-
N-Nitroso-N-phenylbenzenamine
Nitrosodiphenylamine
N-Nitrosodiphenylamine
Diphenylnitrosamine
Retarder J
Redax
N-Nitroso-N-phenylaniline
Vulkalent A
Vultrol
Vulcatard A
N,N-Diphenylnitrosamine
N-Nitroso-N-diphenylamine
N,N-Diphenyl-N-nitrosoamine
Sconoc
Ortard
N-Phenyl-N-nitrosoaniline
NSC 585
Diphenam N
Antioxidant NDPA
Identifiers:
SMILES:
O=NN(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
101 °C
CAS Common Chemistry
Melting Point
66.5 °C
CAS Common Chemistry
Density
1.23 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.225 g/mol | RDKit | |
| 198.07931294 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.23 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 101 °C | CAS Common Chemistry |
| Canonical SMILES | O=NN(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=UBUCNCOMADRQHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66.5 °C | CAS Common Chemistry |
| Name | N-Nitrosodiphenylamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| LogP | 3.5061000000000018 | RDKit |
| Molar Refractivity | 60.81800000000003 | RDKit |
