4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide
Also Known As: NNAL-N-oxide|4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol|N-Nitroso-Cotinine Impurity 4|4- -1- -1-BUTANOL|N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide|3-Pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)-, 1-oxide|3-[1-Hydroxy-4-(methylnitrosoamino)butyl]pyridine-1-oxide|3-(1-hydroxy-4-(methyl(nitroso)amino)butyl)pyridine 1-oxide|3-{1-HYDROXY-4-[METHYL(NITROSO)AMINO]BUTYL}PYRIDIN-1-IUM-1-OLATE|4-(Methylnitrosoamino)-1-[(pyridine 1-oxide)-3-yl]-1-butanol|3-(1-hydroxy-4-(methyl(nitroso)amino)butyl)-1$l^(5)-pyridin-1-one|3-{1-hydroxy-4-[methyl(nitroso)amino]butyl}-1$l^{5}-pyridin-1-one|3-PYRIDINEMETHANOL, .ALPHA.-(3-(METHYLNITROSOAMINO)PROPYL)-, 1-OXIDE
| Molecular Formula | C10H15N3O3 |
|---|---|
| Molecular Weight | 225.11134 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.11134 |
| Monoisotopic Mass | 225.11134 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 85352-99-4 |
|---|---|
| SMILES | CN(CCCC(C1=C[N+](=CC=C1)[O-])O)N=O |
| InChIKey | DKBKTKUNVONEGX-UHFFFAOYSA-N |
Product Overview
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol (CAS 85352-99-4), with molecular formula C10H15N3O3 and molecular weight 225.11134 g/mol. IUPAC: N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide.