4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-d2
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- structure.search.product.name 4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-d2
- Product Code: TRC-H953001
- CAS Number: 154603-21-1
- Brand: TRC
Product Overview
Product Code
TRC-H953001
CAS Number
Product Format
Neat
Molecular Formula
C9 2H2 H9 N O2
Molecular Weight
167.20
Product Categories
TRC, Reference Materials for Smoking-Related Substances , Stable isotopes
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-d2
CAS Number
154603-21-1
Molecular Formula
C9 2H2 H9 N O2
Molecular Weight
167.20
Accurate Mass
167.0915
SMILES
[2H]C([2H])(O)CCC(=O)c1cccnc1
InChI
InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2/i6D2
IUPAC
4,4-dideuterio-4-hydroxy-1-pyridin-3-ylbutan-1-one
Unlabelled CAS Number
59578-62-0
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled; Metabolite
Product Format
Neat
Product Description
A tobacco-specific nitrosamine adduct and metabolite of NNK, 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone.
References: Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997)
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