YXB
概要
| 表記: | N-[(1H-indol-4-yl)methyl]ethanamine |
| 組成式: | C11 H14 N2 |
| 電荷: | 0 |
| 化学式量: | 174.242 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-[(1H-indol-4-yl)methyl]ethanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-indol-4-ylmethyl)ethanamine |
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 | 12.01 | CCNCc1cccc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3 |
| InChIKey | InChI | 1.06 | HIBJZFFYONQAOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNCc1cccc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CCNCc1cccc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNCc1cccc2c1cc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNCc1cccc2c1cc[nH]2 |
