| CAS Number | 881445-78-9 |
| Catalog Number | AG004GD1(AGN-PC-0WB4Y8) |
| Chemical Name | 2-Methyl-3-((pyridin-2-ylmethyl)amino)benzoic acid |
| IUPAC Name | 2-methyl-3-(pyridin-2-ylmethylamino)benzoic acid |
| InChI | InChI=1S/C14H14N2O2/c1-10-12(14(17)18)6-4-7-13(10)16-9-11-5-2-3-8-15-11/h2-8,16H,9H2,1H3,(H,17,18) |
| InChI Key | HAUFZEHUDXFIIB-UHFFFAOYSA-N |
| MDL Number | MFCD08068111 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | C1(=CC=CC(=C1C)NCC1C=CC=CN=1)C(O)=O |
| Synonyms | 881445-78-9,
2-methyl-3-[(2-pyridinylmethyl)amino]benzoic acid,
2-methyl-3-(pyridin-2-ylmethylamino)benzoic Acid,
2-Methyl-3-((pyridin-2-ylmethyl)amino)benzoic acid,
2-methyl-3-[(pyridin-2-ylmethyl)amino]benzoic acid,
AC1O5FG9,
CTK5F9412,
DTXSID10424192,
ZINC6701067,
ZX-CM017643,
BBL000349,
MFCD08068111,
STK511827,
AKOS000284986,
MCULE-2425849417,
ABA-1077666,
AJ-56706,
Y-3673,
AN-465/43384232,
CID6457257,
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| Complexity | 283 |
| 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 | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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