200,000+ products from a single source!
sales@angenechem.com
17945-79-8 | 2-Pyridinebutanol
CAS No: 17945-79-8 Catalog No: AG00270D MDL No:MFCD12828284
Product Description
Catalog Number:
AG00270D
Chemical Name:
2-Pyridinebutanol
CAS Number:
17945-79-8
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD12828284
IUPAC Name:
4-pyridin-2-ylbutan-1-ol
InChI:
InChI=1S/C9H13NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,2,4,6,8H2
InChI Key:
QYSOMFUUWROROT-UHFFFAOYSA-N
SMILES:
OCCCCc1ccccn1
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| The role of tobacco-derived carcinogens in pancreas cancer. | ISRN oncology 20110101 |
| Formation, repair, and genotoxic properties of bulky DNA adducts formed from tobacco-specific nitrosamines. | Journal of nucleic acids 20100101 |
| Comparative levels of O6-methylguanine, pyridyloxobutyl-, and pyridylhydroxybutyl-DNA adducts in lung and liver of rats treated chronically with the tobacco-specific carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone. | Drug metabolism and disposition: the biological fate of chemicals 20090601 |
| Analysis of pyridyloxobutyl and pyridylhydroxybutyl DNA adducts in extrahepatic tissues of F344 rats treated chronically with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and enantiomers of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol. | Chemical research in toxicology 20090501 |
| Mitochondrial DNA adducts in the lung and liver of F344 rats chronically treated with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and (S)-4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol. | Chemical research in toxicology 20090201 |
| Quantitation of pyridylhydroxybutyl-DNA adducts in liver and lung of F-344 rats treated with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and enantiomers of its metabolite 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol. | Chemical research in toxicology 20080701 |
| Identification of O2-substituted pyrimidine adducts formed in reactions of 4-(acetoxymethylnitrosamino)- 1-(3-pyridyl)-1-butanone and 4-(acetoxymethylnitros- amino)-1-(3-pyridyl)-1-butanol with DNA. | Chemical research in toxicology 20040501 |
Related Products
© 2019 Angene International Limited. All rights Reserved.