| CAS Number | 916450-76-5 |
| Catalog Number | AG01BHDT |
| Chemical Name | 4-(dimethylamino)quinoline-2-carboxylic acid |
| IUPAC Name | 4-(dimethylamino)quinoline-2-carboxylic acid |
| InChI | InChI=1S/C12H12N2O2/c1-14(2)11-7-10(12(15)16)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,15,16) |
| InChI Key | KPHFFKJCJLJIPB-UHFFFAOYSA-N |
| MDL Number | MFCD18343403 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | CN(C1=C2C(C=CC=C2)=NC(C(O)=O)=C1)C |
| Synonyms | 4-(dimethylamino)quinoline-2-carboxylic acid,
916450-76-5,
SCHEMBL754073,
ZINC71025495,
AKOS012679859,
4-dimethylaminoquinoline-2-carboxylic acid,
2-Quinolinecarboxylic acid, 4-(dimethylamino)-,
Z1716711789,
4-(dimethylamino)-2-Quinolinecarboxylic acid,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number