Home Nitros 1-nitroso-2-(3-pyridyl)piperidine

1-nitroso-2-(3-pyridyl)piperidine

CAS No.:
37620-20-5
Catalog Number:
AG0078HE
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
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Product Description
Catalog Number:
AG0078HE
Chemical Name:
1-nitroso-2-(3-pyridyl)piperidine
CAS Number:
37620-20-5
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD01081833
IUPAC Name:
3-(1-nitrosopiperidin-2-yl)pyridine
InChI:
InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2
InChI Key:
BXYPVKMROLGXJI-UHFFFAOYSA-N
SMILES:
O=NN1CCCCC1c1cccnc1
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
In vitro metabolism of N'-Nitrosonornicotine catalyzed by cytochrome P450 2A13 and its inhibition by nicotine, N'-Nitrosoanatabine and N'-Nitrosoanabasine. Chemico-biological interactions 20161225
Determination of tobacco-specific N-nitrosamines in urine of smokers and non-smokers. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20091201
Glucuronidation of tobacco-specific nitrosamines by UGT2B10. Drug metabolism and disposition: the biological fate of chemicals 20080501
Role of human cytochrome P450 (CYP) in the metabolic activation of nitrosamine derivatives: application of genetically engineered Salmonella expressing human CYP. Drug metabolism reviews 20020801
Analysis of tobacco-specific nitrosamines in Moldovan cigarette tobacco. Journal of agricultural and food chemistry 20020508
Predicting the mutagenicity of tobacco-related N-nitrosamines in humans using 11 strains of Salmonella typhimurium YG7108, each coexpressing a form of human cytochrome P450 along with NADPH-cytochrome P450 reductase. Environmental and molecular mutagenesis 20010101
Smoke yields of tobacco-specific nitrosamines in relation to FTC tar level and cigarette manufacturer: analysis of the Massachusetts Benchmark Study. Public health reports (Washington, D.C. : 1974) 20010101
Properties