4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Product Code
TRC-M325750
CAS Number
Product Format
Neat
Molecular Formula
C10 H13 N3 O2
Molecular Weight
207.23
API Family
NnalProduct Categories
TRC, Cancer Research Chemicals and Analytical Standards, Organic environmental reference materials
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
N-Nitrosonornicotine ketone
CAS Number
64091-91-4
Molecular Formula
C10 H13 N3 O2
Molecular Weight
207.23
Accurate Mass
207.1008
SMILES
CN(CCCC(=O)c1cccnc1)N=O
InChI
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
IUPAC
N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Purity
>95% (HPLC)
Product Description
This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters. Carcinogen.
References: Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997), Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000), Jalas, J., et al.: Chem. Res. Toxicol., 18, 95(2005), Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006),