4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide
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- structure.search.product.name 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide
- Product Code: TRC-M325760
- CAS Number: 76014-82-9
- Brand: TRC
Product Overview
Product Code
TRC-M325760
CAS Number
Product Format
Neat
Molecular Formula
C10 H13 N3 O3
Molecular Weight
223.23
Product Categories
TRC, Nicotine and related compounds, Reference Materials for Smoking-Related Substances , Carcinogens
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
CAS Number
76014-82-9
Molecular Formula
C10 H13 N3 O3
Molecular Weight
223.23
Accurate Mass
223.0957
Flash Point
-20
SMILES
CN(CCCC(=O)c1ccc[n+]([O-])c1)N=O
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
IUPAC
N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]nitrous amide
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Product Description
A metabolite of the carcinogen 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), (M32575), a tobacco-specific nitrosamine. Carcinogenic.
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
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