18241-37-7 (喹啉，1,4-二甲基-,Quinolinium, 1,4-dimethyl-)

快速询单

结构式：

喹啉，1,4-二甲基-MOL文件

CAS号：

18241-37-7

中文名称：

喹啉，1,4-二甲基-

英文名称：

Quinolinium, 1,4-dimethyl-

分子式：

C₁₁H₁₂N

分子量：

158.219682693481

喹啉，1,4-二甲基-(18241-37-7)名称与标识符

名称

英文别名：

Quinolinium, 1,4-dimethyl-;1,4-dimethylquinolin-1-ium;DTXSID80360896;CHEMBL1896452;18241-37-7;1,4-dimethylquinolinium;AKOS002936605;NCGC00186486-03;SCHEMBL1049804;NCGC00186486-01;NCGC00186486-02;

标识符

InChIKey：

OHQGKTJQWANGLW-UHFFFAOYSA-N

Inchi：

1S/C11H12N/c1-9-7-8-12(2)11-6-4-3-5-10(9)11/h3-8H,1-2H3/q+1

SMILES：

[N+]1(C)C=CC(C)=C2C=CC=CC=12

喹啉，1,4-二甲基-(18241-37-7)物化性质

实验特性

PSA : 3.88

计算特性

精确分子量 : 158.09706
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 158.096974387g/mol
重原子数量 : 12
复杂度 : 155
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） : 2.7
拓扑分子极性表面积 : 3.9Å²

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