3AZ
Summary
| Name: | 3-(aminomethyl)benzoic acid |
| Formula: | C8 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 151.163 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(aminomethyl)benzoic acid |
| OpenEye OEToolkits | 1.7.0 | 3-(aminomethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1)CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1cccc(c1)C(O)=O |
| SMILES | CACTVS | 3.370 | NCc1cccc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)C(=O)O)CN |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)C(=O)O)CN |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11) |
| InChIKey | InChI | 1.03 | GSWYUZQBLVUEPH-UHFFFAOYSA-N |
