MN2
Summary
| Name: | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE |
| Formula: | C11 H17 N2 O2 |
| Formal charge: | 1 |
| Formula weight: | 209.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium |
| OpenEye OEToolkits | 1.5.0 | [4-[(2-carboxyethylamino)methyl]phenyl]methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCNCc1ccc(cc1)C[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]Cc1ccc(CNCCC(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | [NH3+]Cc1ccc(CNCCC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[NH3+])CNCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[NH3+])CNCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1 |
| InChIKey | InChI | 1.03 | IHQRRZIPLZXOKB-UHFFFAOYSA-O |
