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Product Overview

Product Code

TRC-M325740

CAS Number

76014-81-8

Product Format

Neat

Molecular Formula

C10 H15 N3 O2

Molecular Weight

209.24

API Family

Nnal

Product Categories

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

Product Type

Impurity, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

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

CAS Number

76014-81-8

Molecular Formula

C10 H15 N3 O2

Molecular Weight

209.24

Accurate Mass

209.1164

SMILES

CN(CCCC(O)c1cccnc1)N=O

InChI

InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3

IUPAC

N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Nnal

Purity

>95% (HPLC)

Product Description

A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine.

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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