CTK9A1000
5-(aminomethyl)-2-[2-(2-carboxyanilino)-4-(trifluoromethyl)anilino]benzoic acid
Also Known As: 5-(Aminomethyl)-2-({2-[(2-carboxyphenyl)amino]-4-(trifluoromethyl)phenyl}amino)benzoic acid|5-(aminomethyl)-2-[[2-[(2-carboxyphenyl)amino]-4-(trifluoromethyl)phenyl]amino]benzoic Acid
CAS: 687635-37-6
| Molecular Formula | C22H18F3N3O4 |
|---|---|
| Molecular Weight | 445.12494 g/mol |
| LogP | 5.0477 |
| Topological Polar Surface Area | 124.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.12494 |
| Monoisotopic Mass | 445.12494 |
| Heavy Atoms | 32 |
| Complexity | 1179.3229 |
Chemical Identifiers
| CAS Number | 687635-37-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC(=C2)C(F)(F)F)NC3=C(C=C(C=C3)CN)C(=O)O |
Product Overview
CTK9A1000 (CAS 687635-37-6), with molecular formula C22H18F3N3O4 and molecular weight 445.12494 g/mol. IUPAC: 5-(aminomethyl)-2-[2-(2-carboxyanilino)-4-(trifluoromethyl)anilino]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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