VU4
Summary
| Name: | 4-(2-aminoethyl)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-(2-aminoethyl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(2-azanylethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)c1ccc(cc1)CCN |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12) |
| InChIKey | InChI | 1.03 | MRBFWTDIRYEDBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)C(=O)O |
