Product Code
TRC-N529050
CAS Number
Product Format
Neat
Molecular Formula
C6 H12 N2 O3
Molecular Weight
160.17
Product Categories
TRC, Nicotine and related compounds, Dipeptides, Nitrosamine Reference Materials
Purity
>95% (HPLC)
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Analyte Name
N-Nitroso-N-methyl-4-aminobutyric Acid, Methyl Ester
CAS Number
51938-17-1
Molecular Formula
C6 H12 N2 O3
Molecular Weight
160.17
Accurate Mass
160.0848
SMILES
COC(=O)CCCN(C)N=O
InChI
InChI=1S/C6H12N2O3/c1-8(7-10)5-3-4-6(9)11-2/h3-5H2,1-2H3
IUPAC
methyl 4-[methyl(nitroso)amino]butanoate
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
The methyl ester of the nitrosamino acid, N-Nitroso-N-methylaminobutyric acid. This N-nitrosamino acid has been isolated and identified in various types of tobacco, including snuff, chewing and pipe tobacco, cigars and cigarettes.
References: Suzuki, E., et al.: Chem. Pharm. Bull., 28, 1612 (1980), Ohshima, H, et al.: Cancer Letters, 26, 153 (1985).
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