78B
Summary
| Name: | ethyl 4-(aminomethyl)benzoate |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | ethyl 4-(aminomethyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3 |
| InChIKey | InChI | 1.03 | WCTQEHGXBKFLKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(CN)cc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(CN)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1ccc(cc1)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1ccc(cc1)CN |
