AU4
概要
| 表記: | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) |
| 組成式: | C17 H23 N3 |
| 電荷: | 0 |
| 化学式量: | 269.385 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 | 4,4'-(aminomethanediyl)bis(N,N-dimethylaniline) |
| OpenEye OEToolkits | 1.5.0 | 4-[amino-(4-dimethylaminophenyl)methyl]-N,N-dimethyl-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 | N(c1ccc(cc1)C(c2ccc(N(C)C)cc2)N)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ccc(cc1)C(N)c2ccc(cc2)N(C)C |
| SMILES | CACTVS | 3.341 | CN(C)c1ccc(cc1)C(N)c2ccc(cc2)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,17H,18H2,1-4H3 |
| InChIKey | InChI | 1.03 | SGTJPINAQYDQHG-UHFFFAOYSA-N |
