A1C95
Summary
| Name: | 4-[(pyridin-4-yl)methyl]aniline |
| Formula: | C12 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 184.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[(pyridin-4-yl)methyl]aniline |
| OpenEye OEToolkits | 3.1.0.0 | 4-(pyridin-4-ylmethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1ccc(cc1)Cc1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2 |
| InChIKey | InChI | 1.06 | WZXYYQHVDJMIFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Cc2ccncc2)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(Cc2ccncc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Cc2ccncc2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Cc2ccncc2)N |
