N-Nitrosodi-n-butylamine
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CAS Number 924-16-3
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Catalog Number io-2749
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Classification Azo
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Molecular Weight 158.2400
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SMILES CCCCN(CCCC)N=O
| Size | QTY | Notes | |
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N-Nitrosodi-n-Butylamine can cause cancer according to an independent committee of scientific and health experts.
| 1 | N-Nitrosodibutylamine |
| 2 | Dibutylnitrosamine |
| 3 | N-Nitroso-di-n-butylamine |
| 4 | Nitrosodibutylamine |
| 5 | NDBA |
| Molecular Formula | C8H18N2O |
|---|---|
| Canonical SMILES | CCCCN(CCCC)N=O |
| Isomeric SMILES | CCCCN(CCCC)N=O |
| Molecular Weight | 158.2400 |
| InChIKey | YGJHZCLPZAZIHH-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3 |
| XLogP | 2.6000 |
| ExactMass | 158.1419 |
| MonoisotopicMass | 158.1419 |
| TPSA | 32.7000 |
| Complexity | 88.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 644 |
| PatentFamilyCount | 282 |
| LiteratureCount | 507 |
