4-[3-(乙氧羰基)哌啶-1-羰基]苯硼酸频哪酯 | 850411-14-2
4-[3-(乙氧羰基)哌啶-1-羰基]苯硼酸频哪酯
4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester
850411-14-2
C21H30BNO5
387.2776
名称和标识符
MDL |
MFCD06657751 |
InChIKey |
YQADGHATUTVIEA-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H30BNO5/c1-6-26-19(25)16-8-7-13-23(14-16)18(24)15-9-11-17(12-10-15)22-27-20(2,3)21(4,5)28-22/h9-12,16H,6-8,13-14H2,1-5H3 |
SMILES |
CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)B3OC(C)(C)C(C)(C)O3 |
别名信息
- 中文别名 -
- 4-[3-(乙氧羰基)哌啶-1-羰基]苯硼酸频哪酯
- 4-(3-乙氧羰基哌啶)甲酰氨基苯硼酸频那醇酯
- 英文别名 -
- Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperidine-3-carboxylate
- 4-(3-Ethoxycarbonyl-1-piperidinylcarbonyl)benzeneboronic acid pinacol ester
- [4-(Ethyl-3\'-piperidinecarboxylate-1-carbonyl)-phenyl]boronic acid pinacol ester
- [4-(Ethyl-3'-piperidinecarboxylate-1-carbonyl)-phenyl]boronic acid pinacol ester
- 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester
- 4-[3-Ethoxycarbonyl-1-piperidinylcarbonyl]benzeneboronic acid pinacol ester
- ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate
- 4-(3-Ethoxycarbonylpiperidine)carboxaMidophenylboronic acid
- 850411-14-2
- 4-(3-ETHOXYCARBONYL-1-PIPERIDINYLCARBONYL)BENZENEBORONIC ACID PINACOL ESTER
- A863799
- ETHYL 1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOYL]PIPERIDINE-3-CARBOXYLATE
- J-513380
- DTXSID10592143
- 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid pinacol ester
- 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester, AldrichCPR
- MFCD06657751
- AKOS015960126
- AB25668
- AS-2270
- E85553
- Ethyl1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperidine-3-carboxylate
物化性质
实验特性
LogP |
2.33900 |
PSA |
65.07000 |
折射率 |
1.53 |
沸点 |
514.1°C at 760 mmHg |
闪点 |
264.7°C |
密度 |
1.14 |
计算特性
精确分子量 |
387.22200 |
氢键供体数量 |
0 |
氢键受体数量 |
6 |
可旋转化学键数量 |
6 |
同位素质量 |
387.2217032g/mol |
重原子数量 |
28 |
复杂度 |
569 |
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 |
1 |
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 |
拓扑分子极性表面积 |
65.1Ų |