| CAS Number | 102871-69-2 |
| Catalog Number | AG007YHV(AGN-PC-01A9GC) |
| Chemical Name | 2,5,8-Trimethylquinoline |
| IUPAC Name | 2,5,8-trimethylquinoline |
| InChI | InChI=1S/C12H13N/c1-8-4-5-9(2)12-11(8)7-6-10(3)13-12/h4-7H,1-3H3 |
| InChI Key | BAPDDVZQIJZBPQ-UHFFFAOYSA-N |
| MDL Number | MFCD09787532 |
| Molecular Formula | C12H13N |
| Molecular Weight | 171.2383 |
| SMILES | Cc1ccc2c(n1)c(C)ccc2C |
| Synonyms | 2,5,8-Trimethylquinoline,
102871-69-2,
SCHEMBL6177657,
CTK8E3520,
DTXSID60588930,
BAPDDVZQIJZBPQ-UHFFFAOYSA-N,
FCH836525,
MFCD09787532,
ZINC32099260,
AKOS006280556,
AB51613,
AJ-84678,
AK153150,
AX8289406,
DB-058875,
RT-006823,
FT-0733027,
ST24038689,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.243g/mol |
| Monoisotopic Mass | 171.105g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number