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4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
[CAS# 76014-81-8]

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Identification
Name 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
Synonyms N-[4-Hydroxy-4-(3-Pyridyl)Butyl]-N-Methyl-Nitrous Amide; N-[4-Hydroxy-4-(3-Pyridyl)Butyl]-N-Methylnitrous Amide; N-(4-Hydroxy-4-Pyridin-3-Yl-Butyl)-N-Methyl-Nitrous Amide
Molecular Structure CAS#: 76014-81-8, 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
Molecular Formula C10H15N3O2
Molecular Weight 209.25
CAS Registry Number 76014-81-8
SMILES C1=CC=NC=C1C(CCCN(N=O)C)O
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
InChIKey OGRXKBUCZFFSTL-UHFFFAOYSA-N
Properties
Density 1.169g/cm3 (Cal.)
Boiling point 430.188°C at 760 mmHg (Cal.)
Flash point 213.97°C (Cal.)
References
(1) Yuan J.-M.. Urinary Levels of Tobacco-Specific Nitrosamine Metabolites in Relation to Lung Cancer Development in Two Prospective Cohorts of Cigarette Smokers, Cancer Research, 2009
Market Analysis Reports
List of Reports Available for 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
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