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4-Hydroxy-1-(3-Pyridyl)-1-Butanone
[CAS# 59578-62-0]

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Identification
Name 4-Hydroxy-1-(3-Pyridyl)-1-Butanone
Synonyms 4-Hydroxy-1-(3-Pyridyl)Butan-1-One; 4-Hydroxy-1-Pyridin-3-Yl-Butan-1-One; 1-Butanone, 4-Hydroxy-1-(3-Pyridinyl)-
Molecular Structure CAS#: 59578-62-0, 4-Hydroxy-1-(3-Pyridyl)-1-Butanone
Molecular Formula C9H11NO2
Molecular Weight 165.19
CAS Registry Number 59578-62-0
SMILES C1=C(C(CCCO)=O)C=NC=C1
InChI 1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2
InChIKey KTXUGZHJVRHQGP-UHFFFAOYSA-N
Properties
Density 1.142g/cm3 (Cal.)
Boiling point 345.649°C at 760 mmHg (Cal.)
Flash point 162.843°C (Cal.)
References
(1) Sadagopan Krishnan, Eli G. Hvastkovs, Besnik Bajrami, John B. Schenkman and James F. Rusling. Human cyt P450 mediated metabolic toxicity of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) evaluated using electrochemiluminescent arrays, Mol. Biosyst., 2009, 5, 163.
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