11X
概要
| 表記: | N-(pyridin-3-ylmethyl)aniline |
| 別名: | PHENYL-PYRIDIN-3-YLMETHYL-AMINE |
| 組成式: | C12 H12 N2 |
| 電荷: | 0 |
| 化学式量: | 184.237 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-(pyridin-3-ylmethyl)aniline |
| OpenEye OEToolkits | 1.5.0 | N-(pyridin-3-ylmethyl)aniline |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | n1cccc(c1)CNc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C(Nc1ccccc1)c2cccnc2 |
| SMILES | CACTVS | 3.341 | C(Nc1ccccc1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NCc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2 |
| InChIKey | InChI | 1.03 | BJXLHKJBRORJJJ-UHFFFAOYSA-N |
