| CAS Number | 857540-43-3 |
| Catalog Number | AG01AILT |
| Chemical Name | 4-[(Pyridin-4-yl)amino]benzoic acid hydrochloride |
| IUPAC Name | 4-(pyridin-4-ylamino)benzoic acid;hydrochloride |
| InChI | InChI=1S/C12H10N2O2.ClH/c15-12(16)9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-8H,(H,13,14)(H,15,16);1H |
| InChI Key | FNEZGMQMFUFLMU-UHFFFAOYSA-N |
| MDL Number | MFCD18917318 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | Cl.OC(C1=CC=C(NC2=CC=NC=C2)C=C1)=O |
| Synonyms | 4-[(pyridin-4-yl)amino]benzoic acid hydrochloride,
857540-43-3,
AKOS008127870,
MCULE-9466273633,
NE40293,
EN300-78276,
4-(pyridin-4-ylamino)benzoic acid hydrochloride,
Z1259339973,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number