N-Nitrosodiphenylamine
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CAS Number 86-30-6
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Catalog Number io-2754
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Classification Azo
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Molecular Weight 198.2200
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SMILES C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
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N-Nitrosodiphenylamine can cause cancer according to an independent committee of scientific and health experts.
| 1 | N-NITROSODIPHENYLAMINE |
| 2 | Diphenylnitrosamine |
| 3 | Nitrosodiphenylamine |
| 4 | Benzenamine, N-nitroso-N-phenyl- |
| 5 | Vultrol |
| Molecular Formula | C12H10N2O |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O |
| Isomeric SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O |
| Molecular Weight | 198.2200 |
| InChIKey | 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 |
| XLogP | 3.1000 |
| ExactMass | 198.0793 |
| MonoisotopicMass | 198.0793 |
| TPSA | 32.7000 |
| Complexity | 178.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 8944 |
| PatentFamilyCount | 3664 |
| LiteratureCount | 413 |
