| CAS Number | 1281600-19-8 |
| Catalog Number | AG01DTRZ(AGN-PC-0WOLVA) |
| Chemical Name | Benzoic acid, 4-[[2-(4-pyridinyl)ethyl]amino]- |
| IUPAC Name | 4-(2-pyridin-4-ylethylamino)benzoic acid |
| InChI | InChI=1S/C14H14N2O2/c17-14(18)12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2,(H,17,18) |
| InChI Key | OQPSADIBIBJPAP-UHFFFAOYSA-N |
| MDL Number | MFCD17996172 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | OC(=O)c1ccc(cc1)NCCc1ccncc1 |
| Synonyms | 1281600-19-8,
4-((2-(Pyridin-4-yl)ethyl)amino)benzoic acid,
Benzoic acid, 4-[[2-(4-pyridinyl)ethyl]amino]-,
ZINC50913162,
AKOS011512497,
4-(2-(Pyridin-4-yl)ethylamino)benzoic acid,
CS-0059786,
Benzoic acid,4-[[2-(4-pyridinyl)ethyl]amino]-,
Benzoicacid,4-[[2-(4-pyridinyl)ethyl]amino]-,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number