sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 4-(methylnitrosamino)-4-(3-pyridyl)butanal

4-(methylnitrosamino)-4-(3-pyridyl)butanal

CAS No.:
64091-90-3
Catalog Number:
AG00EEOL
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00EEOL
Chemical Name:
4-(methylnitrosamino)-4-(3-pyridyl)butanal
CAS Number:
64091-90-3
MDL Number:
MFCD28958852
IUPAC Name:
N-methyl-N-(4-oxo-1-pyridin-3-ylbutyl)nitrous amide
InChI:
InChI=1S/C10H13N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3
InChI Key:
FRJHUNPWTKLYGL-UHFFFAOYSA-N
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Life-long programming implications of exposure to tobacco smoking and nicotine before and soon after birth: evidence for altered lung development. International journal of environmental research and public health 20110301
Smokers of menthol and nonmenthol cigarettes exhibit similar levels of biomarkers of smoke exposure. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20090201
Induction of lung lesions in Wistar rats by 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and its inhibition by aspirin and phenethyl isothiocyanate. BMC cancer 20070101
Uptake of the tobacco-specific lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone by Moldovan children. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20060101
A tobacco smoke-derived nitrosamine, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, is activated by multiple human cytochrome P450s including the polymorphic human cytochrome P4502D6. Carcinogenesis 19910701
Properties