ZTR
Summary
| Name: | [2-(aminomethyl)phenyl]acetic 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 | [2-(aminomethyl)phenyl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(aminomethyl)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCc1ccccc1CC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12) |
| InChIKey | InChI | 1.06 | VLOIVYPDUSVCLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccccc1CC(O)=O |
| SMILES | CACTVS | 3.385 | NCc1ccccc1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(=O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(=O)O)CN |
