1116-00-3 (N,N-己烯胺,Ethenamine,N,N-diethenyl-)

快速询单

结构式：

N,N-己烯胺MOL文件

CAS号：

1116-00-3

中文名称：

N,N-己烯胺

英文名称：

Ethenamine,N,N-diethenyl-

分子式：

C₆H₉N

分子量：

95.1423614025116

N,N-己烯胺(1116-00-3)名称与标识符

名称

中文别名：

N,N-己烯胺;

英文别名：

Ethenamine,N,N-diethenyl-;N,N-diethenylethenamine;Triethylene amine;DTXSID6061498;trivinylamine;vinyl nitride;N,N-bis(ethenyl)ethenamine;Q27291813;Ethenamine, N,N-diethenyl-;1116-00-3;VG267KM5GH;UNII-VG267KM5GH;

标识符

InChIKey：

VIJMMQUAJQEELS-UHFFFAOYSA-N

Inchi：

1S/C6H9N/c1-4-7(5-2)6-3/h4-6H,1-3H2

SMILES：

N(C=C)(C=C)C=C

N,N-己烯胺(1116-00-3)物化性质

实验特性

PSA : 3.24
折射率 : 1.457
沸点 : 101.2°Cat760mmHg
闪点 : 5.3°C
密度 : 0.792

计算特性

精确分子量 : 95.07357
氢键供体数量 : 3
氢键受体数量 : 8
可旋转化学键数量 : 9
同位素质量 : 95.073
重原子数量 : 30
复杂度 : 614
同位素原子数量 : 0
确定原子立构中心数量 : 2
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
疏水参数计算参考值（XlogP） : 0.3
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 3.2A^2

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