| CAS Number | 1404491-67-3 |
| Catalog Number | AG001CFX(AGN-PC-0WG457) |
| Chemical Name | 2-(3,5-Dimethylphenyl)-5-isobutylquinoline |
| IUPAC Name | 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)quinoline |
| InChI | InChI=1S/C21H23N/c1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18/h5-9,11-14H,10H2,1-4H3 |
| InChI Key | YGPAVZADFDNQFB-UHFFFAOYSA-N |
| MDL Number | MFCD00002704 |
| Molecular Formula | C21H23N |
| Molecular Weight | 289.4140 |
| SMILES | CC(Cc1cccc2c1ccc(n2)c1cc(C)cc(c1)C)C |
| Synonyms | 2-(3,5-dimethylphenyl)-5-isobutylquinoline,
1404491-67-3,
2-(3,5-dimethylphenyl)-5-(2-methylpropyl)quinoline,
SCHEMBL10319231,
YGPAVZADFDNQFB-UHFFFAOYSA-N,
MFCD28991983,
AKOS027255197,
ZINC142914258,
CS-0036639,
2-(3,5-DiMethyl-phenyl)-5-isobutyl-quinoline,
Quinoline, 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.422g/mol |
| Monoisotopic Mass | 289.183g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number