Name: 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
Brand: TRC
SKU: TRC-M325755

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Product Overview

Product Code

TRC-M325755

CAS Number

85352-99-4

Product Format

Neat

Molecular Formula

C10 H15 N3 O3

Molecular Weight

225.24

Product Categories

TRC, Nicotine and related compounds, Reference Materials for Smoking-Related Substances , Carcinogens

Product Type

Metabolite

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Product Information

Chemical Data

Analyte Name

4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol

CAS Number

85352-99-4

Molecular Formula

C10 H15 N3 O3

Molecular Weight

225.24

Accurate Mass

225.1113

SMILES

CN(CCCC(O)c1ccc[n+]([O-])c1)N=O

InChI

InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3

IUPAC

N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Product Description

A metabolite of NNK (M325750), 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)

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