A1CF0
Summary
| Name: | N-[(1H-imidazol-4-yl)methyl]aniline |
| Formula: | C10 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 173.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1H-imidazol-4-yl)methyl]aniline |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1~{H}-imidazol-4-ylmethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1ccccc1NCc1c[NH]cn1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13) |
| InChIKey | InChI | 1.06 | AUZUSOIPPYQZQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Nc1ccccc1)c2c[nH]cn2 |
| SMILES | CACTVS | 3.385 | C(Nc1ccccc1)c2c[nH]cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)NCc2c[nH]cn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)NCc2c[nH]cn2 |
