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612-58-8 | 3-Methylquinoline
CAS No: 612-58-8 Catalog No: AG0033RM MDL No:MFCD00014661
Product Description
Catalog Number:
AG0033RM
Chemical Name:
3-Methylquinoline
CAS Number:
612-58-8
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
MDL Number:
MFCD00014661
IUPAC Name:
3-methylquinoline
InChI:
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
InChI Key:
DTBDAFLSBDGPEA-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)cccc2
EC Number:
210-315-7
UNII:
1YC9RBW2G0
NSC Number:
109149
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.189g/mol
Monoisotopic Mass:
143.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Quinaldine: accessing two crystalline polymorphs via the supercooled liquid. | The Journal of chemical physics 20120807 |
| catena-Poly[[bis-(2,4-dichloro-benzoato)bis-(methanol-κO)cobalt(II)]-μ-4,4'-bipyridine-κN:N']. | Acta crystallographica. Section E, Structure reports online 20111201 |
| catena-Poly[[tetra-aqua-[trans-1,2-bis-(4-pyrid-yl)ethene-κN:N']nickel(II)] dinitrate]. | Acta crystallographica. Section E, Structure reports online 20110401 |
| Bis(di-2-pyridyl-methane-diol-κN,O,N')nickel(II) dibenzoate. | Acta crystallographica. Section E, Structure reports online 20101001 |
| Dibenzoatobis[3-(pyrrol-1-ylmeth-yl)pyridine]-zinc(II). | Acta crystallographica. Section E, Structure reports online 20100801 |
| Tetra-μ-benzoato-bis-{[4-(pyrrolidin-1-yl)pyridine]zinc(II)}. | Acta crystallographica. Section E, Structure reports online 20100101 |
| Tetra-μ-benzoato-bis-{[trans-1-(2-pyrid-yl)-2-(4-pyrid-yl)ethyl-ene]zinc(II)}. | Acta crystallographica. Section E, Structure reports online 20091201 |
| catena-Poly[[bis-(2-hydr-oxy-2-phenyl-acetato-κO,O)zinc(II)]-μ-1,2-di-4-pyridylethane-κN:N']. | Acta crystallographica. Section E, Structure reports online 20090901 |
| A neutral cubane with a Zn(4)O(4) core: tetra-benzoato-tetra-kis(μ(3)-hydroxydi-2-pyridylmethano-lato)tetra-zinc(II)-acetone-methanol (1/2/1). | Acta crystallographica. Section E, Structure reports online 20090601 |
| 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 |
| Tetra-μ-benzoato-bis-[(3-methyl-quinoline)copper(II)](Cu-Cu). | Acta crystallographica. Section E, Structure reports online 20080901 |
| Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. | Journal of medicinal chemistry 20050602 |
| Replacement of active-site residues of quinoline 2-oxidoreductase involved in substrate recognition and specificity. | Current microbiology 20050401 |
| Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. | Journal of medicinal chemistry 20050127 |
| Quinoline 2-oxidoreductase and 2-oxo-1,2-dihydroquinoline 5,6-dioxygenase from Comamonas testosteroni 63. The first two enzymes in quinoline and 3-methylquinoline degradation. | European journal of biochemistry 19950901 |
| Microbial metabolism of quinoline and related compounds. XVII. Degradation of 3-methylquinoline by Comamonas testosteroni 63. | Biological chemistry Hoppe-Seyler 19930301 |
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