4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride
Product Code
TRC-M287000
CAS Number
Product Format
Neat
Molecular Formula
C10 H14 N2 O . 2 Cl H
Molecular Weight
251.15
API Family
NicotineProduct Categories
TRC, Nicotine and related compounds, Halogenated heterocycles
Product Type
MetaboliteAlternate CAS Number
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
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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