668467-80-9 ((6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-)

快速询单

结构式：

6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-MOL文件

CAS号：

668467-80-9

英文名称：

6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-

分子式：

C₁₄H₁₈N₂

分子量：

214.306123256683

6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-(668467-80-9)名称与标识符

名称

英文别名：

6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-;1-tert-butyl-3,4-dihydro-2H-quinoline-6-carbonitrile;1-(tert-Butyl)-1,2,3,4-tetrahydroquinoline-6-carbonitrile;DTXSID00797726;668467-80-9;1-tert-Butyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile;1-t-butyl-6-cyano-1,2,3,4-tetrahydroquinoline;

标识符

InChIKey：

MLVUMBZKMLKUPQ-UHFFFAOYSA-N

Inchi：

1S/C14H18N2/c1-14(2,3)16-8-4-5-12-9-11(10-15)6-7-13(12)16/h6-7,9H,4-5,8H2,1-3H3

SMILES：

N1(C2C=CC(C#N)=CC=2CCC1)C(C)(C)C

6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-(668467-80-9)物化性质

实验特性

PSA : 27.03

计算特性

精确分子量 : 214.14714
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 214.146998583g/mol
重原子数量 : 16
复杂度 : 294
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） : 3.1
拓扑分子极性表面积 : 27Å²

6-Quinolinecarbonitrile, 1-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-(668467-80-9)相关文献

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