4AZ
Summary
| Name: | 4-(aminomethyl)benzoic acid |
| Formula: | C8 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 151.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-(aminomethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NCc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.352 | NCc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CN)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CN)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11) |
| InChIKey | InChI | 1.03 | QCTBMLYLENLHLA-UHFFFAOYSA-N |
