(S)-2-(氰甲基)哌嗪-1-甲酸苄酯 基本信息
| 中文名称 | (S)-2-(氰甲基)哌嗪-1-甲酸苄酯 |
|---|---|
| 中文同义词 | (S)-2-(氰基甲基)哌嗪-1-羧酸苄酯;(2S)-2-(氰甲基)哌嗪-1-甲酸苄酯;BENZYL 2-(CYANOMETHYL)PIPERAZINE-1-CARBOXYLATE;S-1-CBZ-2-哌嗪乙腈 |
| 英文名称 | Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate |
| 英文同义词 | 1-Piperazinecarboxylic acid, 2-(cyanomethyl)-, phenylmethyl ester, (2S)-;Benzyl (S)-2-(Cyanomethyl)piperazine-1-carboxylate;1-benzyl 4-(tert-butyl) (S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate;benzyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate;Benzyl 2-(cyanomethyl)piperazine-1-carboxylate;Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate hydrochloride;(S)-benzyl 2-(cyanomethyl)piperazine-1-carboxylate;Benzyl ( S )-2-( cyanomethyl ) piperazine - l - carboxylate |
| CAS号 | 2158302-01-1 |
| 分子式 | C14H17N3O2 |
| 分子量 | 259.3 |
| EINECS号 | |
| 相关类别 | 手性分子砌块 |
| Mol文件 | 2158302-01-1.mol |
| 结构式 |  |
(S)-2-(氰甲基)哌嗪-1-甲酸苄酯 性质
| 沸点 | 450.9±30.0 °C(Predicted) |
|---|---|
| 密度 | 1.163±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 7.69±0.40(Predicted) |
| InChI | InChI=1S/C14H17N3O2/c15-7-6-13-10-16-8-9-17(13)14(18)19-11-12-4-2-1-3-5-12/h1-5,13,16H,6,8-11H2/t13-/m0/s1 |
| InChIKey | QSKMFYCQRQLYMF-ZDUSSCGKSA-N |
| SMILES | N1(C(OCC2=CC=CC=C2)=O)CCNC[C@@H]1CC#N |