Home Aminos 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butane-1-ol

4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butane-1-ol

CAS No.:
59578-66-4
Catalog Number:
AG00EFBM
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EFBM
Chemical Name:
4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butane-1-ol
CAS Number:
59578-66-4
MDL Number:
MFCD01749470
IUPAC Name:
N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide
InChI:
InChI=1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
InChI Key:
IIDMFFRDEFHWCJ-UHFFFAOYSA-N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
On-line concentration and determination of tobacco-specific N-nitrosamines by cation-selective exhaustive injection-sweeping-micellar electrokinetic chromatography. Talanta 20101015
Elimination kinetics of the tobacco-specific biomarker and lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20091201
Effects of menthol on tobacco smoke exposure, nicotine dependence, and NNAL glucuronidation. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20090101
Study of the metabolism on tobacco-specific N-nitrosamines in the rabbit by solid-phase extraction and liquid chromatography-tandem mass spectrometry. Analytical and bioanalytical chemistry 20061201
Determination of tobacco-specific N-nitrosamines in rabbit serum by capillary zone electrophoresis and capillary electrophoresis-electrospray ionization-mass spectrometry with solid-phase extraction. Electrophoresis 20060601
Synthesis of stereospecifically deuterated 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) iastereomers and metabolism by A/J mouse lung microsomes and cytochrome p450 2A5. Chemical research in toxicology 20030601
The effect of tobacco smoke, nicotine, and cotinine on the mutagenicity of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL). Mutation research 20010725
O-Glucuronidation of the lung carcinogen 4-(methylnitrosamino)-1- (3-pyridyl)-1-butanol (NNAL) by human UDP-glucuronosyltransferases 2B7 and 1A9. Drug metabolism and disposition: the biological fate of chemicals 20001101
Properties