4-羟基-4-甲基哌啶-1-羧酸苄酯 | 169750-57-6
4-羟基-4-甲基哌啶-1-羧酸苄酯
Benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate
169750-57-6
C14H19NO3
249.3056
名称和标识符
MDL |
MFCD09910308 |
InChIKey |
JTYZJURNGHJWKI-UHFFFAOYSA-N |
Inchi |
1S/C14H19NO3/c1-14(17)7-9-15(10-8-14)13(16)18-11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3 |
SMILES |
O([H])C1(C([H])([H])[H])C([H])([H])C([H])([H])N(C(=O)OC([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])C1([H])[H] |
别名信息
- 中文别名 -
- 4-羟基-4-甲基哌啶-1-羧酸苄酯
- N-CBZ-4-甲基-4-羟基哌啶
- 英文别名 -
- 4-Hydroxy-4-methylpiperidine-1-carboxylic acid benzyl ester
- 1-Cbz-4-hydroxy-4-methylpiperidine
- 1-Piperidinecarboxylicacid, 4-hydroxy-4-methyl-, phenylmethyl ester
- 4‐HYDROXY‐4‐METHYLPIPERIDINE‐1‐CARBOXYLIC ACID BENZYL ESTER
- benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate
- N-CBZ-4-Hydroxy-4-Methylpiperidine
- Benzyl (4-hydroxy-4-methylpiperidin-1-yl)carboxylate
- JTYZJURNGHJWKI-UHFFFAOYSA-N
- SB11669
- AM100348
- H67409
- Benzyl(4-hydroxy-4-methylpiperidin-1-yl)carboxylat
- 169750-57-6
- MFCD09910308
- DTXSID00441131
- SY097300
- Benzyl(4-hydroxy-4-methylpiperidin-1-yl)carboxylate
- CS-0049826
- EN300-3253502
- AS-35999
- 1-Cbz-4-methylpiperidin-4-ol
- SCHEMBL566838
- 4-Hydroxy-4-methylpiperidine-1-carboxylicacidbenzylester
- AKOS017556790
- Benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate
物化性质
实验特性
PSA |
49.77 |
折射率 |
1.56 |
沸点 |
383.9°Cat760mmHg |
闪点 |
186°C |
溶解度 |
微溶 (2.7 g/L) (25 ºC), |
密度 |
1.180±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
249.13657 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
249.13649347g/mol |
重原子数量 |
18 |
复杂度 |
279 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.7 |
拓扑分子极性表面积 |
49.8 |