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Product Overview

Product Code

TRC-M287000

CAS Number

66093-90-1

Product Format

Neat

Molecular Formula

C10 H14 N2 O . 2 Cl H

Molecular Weight

251.15

API Family

Nicotine

Product Categories

TRC, Nicotine and related compounds, Halogenated heterocycles, Impurity Reference Materials

Product Type

Impurity, Metabolite

Alternate CAS Number

Free base: 2055-23-4

Documentation

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Product Information

Chemical Data

Analyte Name

4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride

CAS Number

66093-90-1

Molecular Formula

C10 H14 N2 O . 2 Cl H

Molecular Weight

251.15

Accurate Mass

250.064

SMILES

Cl.Cl.CNCCCC(=O)c1cccnc1

InChI

InChI=1S/C10H14N2O.2ClH/c1-11-6-3-5-10(13)9-4-2-7-12-8-9;;/h2,4,7-8,11H,3,5-6H2,1H3;2*1H

IUPAC

4-(methylamino)-1-pyridin-3-ylbutan-1-one;dihydrochloride

Alternate CAS Number

Free base: 2055-23-4

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Nicotine

Product Description

An amino ketone metabolite of nicotine, and precursor to NNK.

References: Stephen S. Hecht et. al. , Proc. Natl. Acad. Sci. USA, 97, 12493, 2000

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