4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal

CAS: 64091-90-3

Ref. TR-M325650

Product Information

• Name: 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal
• Synonyms: N-methyl-N-(4-oxo-1-pyridin-3-ylbutyl)nitrous amide
• Brand: TRC

Description

Applications A tobacco smoke-derived nitrosamine which is activated by multiple human cytochrome P 450s including the polymorphic human cytochrome P 4502D6.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Castonguay, A., et al.: Cancer Lett., 46, 93 (1989), Crespi, C.L., et al.: Carcinogenesis, 12, 1197 (1991),

Chemical properties

• Molecular weight: 207.23
• Formula: C₁₀H₁₃N₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C10H13N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3
• InChI key: InChIKey=FRJHUNPWTKLYGL-UHFFFAOYSA-N
• SMILES: CN(N=O)C(CCC=O)c1cccnc1