208245-73-2 (tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate,tert-butyl 4-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate)

CAS号:
208245-73-2
中文名称:
tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
英文名称:
tert-butyl 4-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
分子式:
C11H19NO2
分子量:
197.27406334877

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate(208245-73-2)名称与标识符

名称

英文别名:
tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-methyl-, 1,1-dimethylethyl ester;tert-butyl 4-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate;SB13261;3,6-Dihydro-4-methyl-1(2H)-pyridinecarboxylic acid 1,1-dimethylethyl ester;3,6-Dihydro-4-methyl-1(2H)-pyridinecarboxylic acid 1,1-dimethylethyl ester, AldrichCPR;SCHEMBL8218881;SY098348;1-Boc-4-methyl-1,2,3,6-tetrahydropyridine;tert-butyl 4-methyl-3,6-dihydropyridine-1(2H)-carboxylate;tert-Butyl4-methyl-5,6-dihydropyridine-1(2H)-carboxylate;208245-73-2;AS-34206;AKOS024071358;CS-0048207;MFCD26959125;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;

标识符

MDL:
MFCD26959125
InChIKey:
UPUZWYFQRARJNC-UHFFFAOYSA-N
Inchi:
1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h5H,6-8H2,1-4H3
SMILES:
O(C(N1CC=C(C)CC1)=O)C(C)(C)C

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate(208245-73-2)物化性质

实验特性

  • 沸点 : 257.0±29.0 °C at 760 mmHg
  • 颜色与性状 : NA
  • 密度 : 1.0±0.1 g/cm3

计算特性

  • 精确分子量 : 197.141578849g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 197.141578849g/mol
  • 重原子数量 : 14
  • 复杂度 : 251
  • 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 : 29.5

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate(208245-73-2)国际标准相关数据

EINECS:
NA

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tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate(208245-73-2)参考资料

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