1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt

CAS: 15569-97-8

Ref. TR-P992550

Product Information

• Name: 1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt
• Synonyms: γ-Hydroxy-3-pyridinebutanoic Acid Na+/NH4+ Salt, 4-Hydroxy-4-(3-pyridyl)butyric Acid Na+/NH4+ Salt, 4-(3-Pyridyl)-4-hydroxybutyric Acid Na+/NH4+ Salt, γ-(3-Pyridyl)-γ-hydroxy-butyric Acid Na+/NH4+ Salt
• Brand: TRC
• Description: Applications 1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt is a metabolite of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) (M325750), which is a major carcinogen, found in cigarette smoke. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Hecht, S., et al.: Chem. Res. Toxicol., 11, 559 (1998); Hecht, S., et al.: Carcinogenesis, 23, 907 (2002); Sasco, A., et al.: Lung Cancer, 45, S3 (2004)

Chemical properties

• Molecular weight: 180.1822991804
• Formula: C₉H₁₀NO₃•NaNH₄
• Color/Form: Neat
• InChI: InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)/p-1
• InChI key: InChIKey=STZOZPPVGWNSMC-UHFFFAOYSA-M
• SMILES: O=C([O-])CCC(O)c1cccnc1