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Molecule
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
Identifiers
CAS Registry Number
86-30-6
SMILES
O=NN(c1ccccc1)c1ccccc1
InChI Key
UBUCNCOMADRQHX-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- N-Nitrosodiphenylamine Common Name
- Benzenamine, N-nitroso-N-phenyl- Synonym
- Diphenylamine, N-nitroso- Synonym
- N-Nitroso-N-phenylbenzenamine Synonym
- Nitrosodiphenylamine Synonym
- N-Nitrosodiphenylamine Synonym
- Diphenylnitrosamine Synonym
- Retarder J Synonym
- Redax Synonym
- N-Nitroso-N-phenylaniline Synonym
- Vulkalent A Synonym
- Vultrol Synonym
- Vulcatard A Synonym
- N,N-Diphenylnitrosamine Synonym
- N-Nitroso-N-diphenylamine Synonym
- N,N-Diphenyl-N-nitrosoamine Synonym
- Sconoc Synonym
- Ortard Synonym
- N-Phenyl-N-nitrosoaniline Synonym
- NSC 585 Synonym
- Diphenam N Synonym
- Antioxidant NDPA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.225 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 |
| 32.44 Ų | chempirical lib | |
| LogP | 3.5061000000000018 | RDKit |
| 3.5061 | RDKit | |
| Molar Refractivity | 60.81800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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Quick conversion
MW = 198.22 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2O.
