N-Nitrosodi-n-propylamine
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CAS Number 621-64-7
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Catalog Number io-2756
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Classification Azo
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Molecular Weight 130.1900
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SMILES CCCN(CCC)N=O
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N-Nitrosodi-n-propylamine can cause cancer according to an independent committee of scientific and health experts.
| 1 | N-Nitrosodipropylamine |
| 2 | N-NITROSODI-N-PROPYLAMINE |
| 3 | Dipropylnitrosamine |
| 4 | N,N-Dipropylnitrosamine |
| 5 | N,N-dipropylnitrous amide |
| Molecular Formula | C6H14N2O |
|---|---|
| Canonical SMILES | CCCN(CCC)N=O |
| Isomeric SMILES | CCCN(CCC)N=O |
| Molecular Weight | 130.1900 |
| InChIKey | YLKFDHTUAUWZPQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3 |
| XLogP | 1.4000 |
| ExactMass | 130.1106 |
| MonoisotopicMass | 130.1106 |
| TPSA | 32.7000 |
| Complexity | 69.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1276 |
| PatentFamilyCount | 551 |
| LiteratureCount | 417 |
