| CAS Number | 933728-79-1 |
| Catalog Number | AG00JIBT(AGN-PC-0WBPPR) |
| Chemical Name | 2-(Dimethylamino)quinoline-4-carboxylic acid |
| IUPAC Name | 2-(dimethylamino)quinoline-4-carboxylic acid |
| InChI | InChI=1S/C12H12N2O2/c1-14(2)11-7-9(12(15)16)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3,(H,15,16) |
| InChI Key | NGJFDFAIRAKMPJ-UHFFFAOYSA-N |
| MDL Number | MFCD03419323 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | C1(N(C)C)=CC(C(O)=O)=C2C(C=CC=C2)=N1 |
| Synonyms | 2-(dimethylamino)quinoline-4-carboxylic acid,
933728-79-1,
2-(Dimethylamino)-4-quinolinecarboxylic acid,
SCHEMBL16832665,
ALBB-030321,
ZINC6125856,
BBL036706,
MFCD03419323,
AKOS009325096,
MCULE-1721283788,
NE26372,
AO-022/43514094,
Z1626921257,
N/A,
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| 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
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Certificate of Analysis
Lot Number