99892-23-6 ((1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-)

快速询单

结构式：

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-MOL文件

CAS号：

99892-23-6

英文名称：

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-

分子式：

C₁₁H₂₆N₄

分子量：

214.350942134857

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-(99892-23-6)名称与标识符

名称

英文别名：

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-;1,4,7-trimethyl-1,4,7,10-tetrazacyclododecane;SR-01000527716;SR-01000527716-1;AKOS000519539;DTXSID50351498;99892-23-6;SCHEMBL10063830;EU-0052362;

标识符

InChIKey：

IIZJYENGWGJUSI-UHFFFAOYSA-N

Inchi：

1S/C11H26N4/c1-13-6-4-12-5-7-14(2)9-11-15(3)10-8-13/h12H,4-11H2,1-3H3

SMILES：

N1(C)CCN(C)CCNCCN(C)CC1

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-(99892-23-6)物化性质

计算特性

精确分子量 : 214.21574685g/mol
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 214.21574685g/mol
重原子数量 : 15
复杂度 : 147
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） : -0.8
拓扑分子极性表面积 : 21.8Å²

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-(99892-23-6)相关文献

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99892-23-6 ((1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-)

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-(99892-23-6)名称与标识符

名称

标识符

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-(99892-23-6)物化性质

计算特性

1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-(99892-23-6)相关文献

目录