4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-1,2',3',4',5',6'-13C6
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- structure.search.product.name 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-1,2',3',4',5',6'-13C6
- Product Code: TRC-M325741
- CAS Number: 1189877-28-8
- Brand: TRC
Product Overview
Product Code
TRC-M325741
CAS Number
Product Format
Neat
Molecular Formula
13C6 C4 H15 N3 O2
Molecular Weight
215.20
Product Categories
Reference Materials for Smoking-Related Substances , Stable isotopes, Stable Isotope Labelled Analytical Standards, TRC
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 1,pyridyl-13C6
CAS Number
1189877-28-8
Molecular Formula
13C6 C4 H15 N3 O2
Molecular Weight
215.20
Accurate Mass
215.1366
SMILES
CN(CCC[13CH](O)[13c]1[13cH][13cH][13cH]n[13cH]1)N=O
InChI
InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3/i2+1,4+1,6+1,8+1,9+1,10+1
IUPAC
N-(4-hydroxy-4-(2,3,4,5,6-^{13}C_{5})pyridin-3-yl(4^{13}C)butyl)-N-methylnitrous amide
Unlabelled CAS Number
76014-81-8
SIL Type
Carbon
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
Product Description
A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine.
References: Hecht, S.S., et al.: Cancer Res., 40, 4144 (1980); Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997)
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