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59578-66-4,MFCD01749470
Catalog No.:AA00EF8U

59578-66-4 | 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butane-1-ol

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10mg
2 weeks  
$1,868.00   $1,308.00
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50mg
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$3,735.00   $2,615.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00EF8U
Chemical Name:
4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butane-1-ol
CAS Number:
59578-66-4
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
MDL Number:
MFCD01749470
SMILES:
OCCCC(c1cccnc1)N(N=O)C
Properties
Properties
 
BP:
428.9°C at 760 Torr  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.7  

Literature

Title: On-line concentration and determination of tobacco-specific N-nitrosamines by cation-selective exhaustive injection-sweeping-micellar electrokinetic chromatography.

Journal: Talanta 20101015

Title: Elimination kinetics of the tobacco-specific biomarker and lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol.

Journal: Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20091201

Title: Effects of menthol on tobacco smoke exposure, nicotine dependence, and NNAL glucuronidation.

Journal: Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20090101

Title: Study of the metabolism on tobacco-specific N-nitrosamines in the rabbit by solid-phase extraction and liquid chromatography-tandem mass spectrometry.

Journal: Analytical and bioanalytical chemistry 20061201

Title: Determination of tobacco-specific N-nitrosamines in rabbit serum by capillary zone electrophoresis and capillary electrophoresis-electrospray ionization-mass spectrometry with solid-phase extraction.

Journal: Electrophoresis 20060601

Title: 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.

Journal: Chemical research in toxicology 20030601

Title: The effect of tobacco smoke, nicotine, and cotinine on the mutagenicity of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL).

Journal: Mutation research 20010725

Title: O-Glucuronidation of the lung carcinogen 4-(methylnitrosamino)-1- (3-pyridyl)-1-butanol (NNAL) by human UDP-glucuronosyltransferases 2B7 and 1A9.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20001101

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Tags:59578-66-4 Molecular Formula|59578-66-4 MDL|59578-66-4 SMILES|59578-66-4 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butane-1-ol