N-Nitrosopyrrolidine
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CAS Number 930-55-2
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Catalog Number io-2764
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Classification Azo
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Molecular Weight 100.1200
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SMILES C1CCN(C1)N=O
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N-Nitrosopyrrolidine can cause cancer according to an independent committee of scientific and health experts.
| 1 | 1-Nitrosopyrrolidine |
| 2 | N-NITROSOPYRROLIDINE |
| 3 | Pyrrolidine, 1-nitroso- |
| 4 | NPYR |
| 5 | No-pyr |
| Molecular Formula | C4H8N2O |
|---|---|
| Canonical SMILES | C1CCN(C1)N=O |
| Isomeric SMILES | C1CCN(C1)N=O |
| Molecular Weight | 100.1200 |
| InChIKey | WNYADZVDBIBLJJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2 |
| XLogP | -0.2000 |
| ExactMass | 100.0637 |
| MonoisotopicMass | 100.0637 |
| TPSA | 32.7000 |
| Complexity | 68.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 896 |
| PatentFamilyCount | 351 |
| LiteratureCount | 715 |
