92915-83-8 (1,4-丁二胺-2,2,3,3-T4 二盐酸盐,1,4-Butane-2,2,3,3-t4-diamine,dihydrochloride (9CI))

快速询单

结构式：

1,4-丁二胺-2,2,3,3-T4 二盐酸盐MOL文件

CAS号：

92915-83-8

中文名称：

1,4-丁二胺-2,2,3,3-T4 二盐酸盐

英文名称：

1,4-Butane-2,2,3,3-t4-diamine,dihydrochloride (9CI)

分子式：

C₄H₁₄Cl₂N₂

分子量：

169.105796337128

1,4-丁二胺-2,2,3,3-T4 二盐酸盐(92915-83-8)名称与标识符

名称

中文别名：

1,4-丁二胺-2,2,3,3-T4 二盐酸盐;1,4-丁二胺-2,2,3,3-T4 二盐酸盐;

英文别名：

1,4-Butane-2,2,3,3-t4-diamine,dihydrochloride (9CI);PUTRESCINE DIHYDROCHLORIDE, [2,3-3H(N)];PUTRESCINE [2,3-3H(N)] DIHYDROCHLORIDE;1,4-Butane-2,2,3,3-t4-diamine dihydrochloride;

标识符

InChIKey：

XXWCODXIQWIHQN-YXJRSJIBSA-N

Inchi：

1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H/i1T2,2T2;;

SMILES：

C([3H])([3H])(CN)C([3H])([3H])CN.Cl.Cl

1,4-丁二胺-2,2,3,3-T4 二盐酸盐(92915-83-8)物化性质

实验特性

LogP : 2.68860
PSA : 52.04000

计算特性

精确分子量 : 168.08600
氢键供体数量 : 4
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 168.086
重原子数量 : 8
复杂度 : 17.5
同位素原子数量 : 4
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 : 3
拓扑分子极性表面积 : 52A^2

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