(E)-4-[2-[3-(1,1-二甲基乙氧基)-3-氧代-1-丙烯基]苯基]-1,4-二氢-2,6-二甲基-3,5-吡啶二羧酸二乙酯
Caldine; Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate; 4-[o-[(E)-2-Carboxyvinyl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid 4-tert-Butyl Diethyl Ester; Diethyl 4-{2-[(1E)-3-tert-butoxy-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; Diethyl (E)-4-[2-[2-(tert-butoxycarbonyl)vinyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; Lacipil; (E)-4-[2-[3-(1,1-Dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester; MFCD00865936; Lacirex; 3,5-Pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester; Lacidipine; Motens; 3,5-pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester
-20?C Freezer
1、 摩尔折射率:126.78 2、 摩尔体积(cm3/mol):403.9 3、 等张比容(90.2K):1020.6 4、 表面张力(dyne/cm):40.7 5、 极化率(10-24cm3):50.26
1.疏水参数计算参考值(XlogP):4.5 2.氢键供体数量:1 3.氢键受体数量:7 4.可旋转化学键数量:11 5.互变异构体数量:104 6.拓扑分子极性表面积90.9 7.重原子数量:33 8.表面电荷:0 9.复杂度:805 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:1 14.不确定化学键立构中心数量:0 15.共价键单元数量:1
1.性状:在乙酸乙酯中结晶。 2.熔点(℃):174~175。
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