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877-43-0 | 2,6-Dimethylquinoline
CAS No: 877-43-0 Catalog No: AG004LK8 MDL No:MFCD00006762
Product Description
Catalog Number:
AG004LK8
Chemical Name:
2,6-Dimethylquinoline
CAS Number:
877-43-0
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD00006762
IUPAC Name:
2,6-dimethylquinoline
InChI:
InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
InChI Key:
JJPSZKIOGBRMHK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(n2)C
EC Number:
212-891-5
UNII:
KST0M1T4MB
NSC Number:
1782
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. | European journal of medicinal chemistry 20090501 |
| [Studies on chemical constituents from roots of Peucedanum praeruptorum II]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060801 |
| Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. | Journal of medicinal chemistry 20050602 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. | Journal of medicinal chemistry 20050127 |
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