4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]nitrous amide
Also Known As: NNK-N-oxide|4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone|N-Nitroso-Cotinine Impurity 3|4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide|4- -1- -1-BUTANONE|4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone|1-Butanone, 4-(methylnitrosoamino)-1-(1-oxido-3-pyridinyl)-|N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]nitrous amide|4-(Methylnitrosoamino)-1-(1-oxido-3-pyridinyl)-1-butanone|4-(Methylnitrosoamino)-1-(1-oxido-3-pyridinyl)-|3-(4-(methyl(nitroso)amino)butanoyl)pyridine 1-oxide|3-[1-Oxo-4-(methylnitrosoamino)butyl]pyridine-1-oxide|1-BUTANONE, 4-(METHYLNITROSOAMINO)-1-(3-PYRIDINYL)-, N-OXIDE|[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]hydrazine Hydrochloride|3-{4-[METHYL(NITROSO)AMINO]BUTANOYL}PYRIDIN-1-IUM-1-OLATE|4-(Methylnitrosoamino)-1-[(pyridine 1-oxide)-3-yl]-1-butanone|N-Methyl-N-[4-oxo-4-(1-oxo-1lambda~5~-pyridin-3-yl)butyl]nitrous amide
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.09569 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.09569 |
| Monoisotopic Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 76014-82-9 |
|---|---|
| SMILES | CN(CCCC(=O)C1=C[N+](=CC=C1)[O-])N=O |
| InChIKey | KRRWRVSPMYAJPF-UHFFFAOYSA-N |
Product Overview
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone (CAS 76014-82-9), with molecular formula C10H13N3O3 and molecular weight 223.09569 g/mol. IUPAC: N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]nitrous amide.