4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide

CAS: 76014-82-9

Ref. TR-M325760

Product Information

• Name: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide
• Synonyms: N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]nitrous amide
• Brand: TRC

Description

Applications A metabolite of the carcinogen 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), (M32575), a tobacco-specific nitrosamine. Carcinogenic.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Hecht, S.S., et al.: Cancer Res., 40, 4144 (1980), Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997), Zimmerman, C., et al.: Carcinogenesis, 25, 1237 (2004),

Chemical properties

• Molecular weight: 223.23
• Formula: C₁₀H₁₃N₃O₃
• Color/Form: Neat
• InChI: InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3
• InChI key: InChIKey=KRRWRVSPMYAJPF-UHFFFAOYSA-N
• SMILES: CN(CCCC(=O)c1ccc[n+]([O-])c1)N=O