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Product Overview

Product Code

TRC-M287002

CAS Number

1189727-40-9

Product Format

Neat

Molecular Formula

C10 2H3 H11 N2 O . 2 Cl H

Molecular Weight

254.17

API Family

Nicotine

Product Categories

Reference Materials for Smoking-Related Substances , Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards, TRC

Product Type

Stable Isotope Labelled, Metabolite

Unlabelled CAS Number

66093-90-1

Documentation

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Product Information

Chemical Data

Analyte Name

4-(Methyl-d3-amino)-1-(3-pyridyl)-1-butanone Dihydrochloride

CAS Number

1189727-40-9

Molecular Formula

C10 2H3 H11 N2 O . 2 Cl H

Molecular Weight

254.17

Accurate Mass

253.0828

SMILES

Cl.Cl.[2H]C([2H])([2H])NCCCC(=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/i1D3;;

IUPAC

1-pyridin-3-yl-4-(trideuteriomethylamino)butan-1-one;dihydrochloride

Unlabelled CAS Number

66093-90-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Nicotine

Product Description

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

References: Stephen S. Hect, Sharon E. Murphy, et. al. , Proc. Natl. Acad. Sci. USA, Oct. 24, 2000.

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