463
Summary
| Name: | N-[3-(aminomethyl)phenyl]acetamide |
| Formula: | C9 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 164.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(aminomethyl)phenyl]acetamide |
| OpenEye OEToolkits | 1.9.2 | N-[3-(aminomethyl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(ccc1)CN)C |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | JLFWORHZSACMOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(CN)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(CN)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1cccc(c1)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1cccc(c1)CN |
