MN7
Summary
| Name: | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-{[(2-methylpropyl)amino]methyl}benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[(2-methylpropylamino)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(cc1)CNCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CNCc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)CNCc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CNCc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CNCc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO2/c1-9(2)7-13-8-10-3-5-11(6-4-10)12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | UHUHLFVTIXJYPG-UHFFFAOYSA-N |
