4-(Methyl-d3-amino)-1-(3-pyridyl)-1-butanone Dihydrochloride
Product Code
TRC-M287002
CAS Number
Product Format
Neat
Molecular Formula
C10 2H3 H11 N2 O . 2 Cl H
Molecular Weight
254.17
API Family
NicotineProduct Categories
Reference Materials for Smoking-Related Substances , Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
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
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.