A1ABD
Summary
| Name: | 4-(ethylamino)benzoic acid |
| Formula: | C9 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 165.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(ethylamino)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(ethylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCNc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | SWXFMMWYVSYQGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCNc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1ccc(cc1)C(=O)O |
