4671-07-2 ((2,3-dihydro-1H-1,2,4-triazole)

快速询单

结构式：

2,3-dihydro-1H-1,2,4-triazoleMOL文件

CAS号：

4671-07-2

英文名称：

2,3-dihydro-1H-1,2,4-triazole

分子式：

C₂H₅N₃

分子量：

71.0811994075775

2,3-dihydro-1H-1,2,4-triazole(4671-07-2)名称与标识符

名称

英文别名：

2,3-dihydro-1H-1,2,4-triazole;3-1,2,4-triazoline;CHEBI:51259;4671-07-2;4,5-Dihydro-1H-1,2,4-triazole;AKOS006357477;delta-(2)-1,2,4-Triazoline;4,5-dihydro-1,2,4-triazole;1,2,4-triazoline;Q27122487;DTXSID50196922;

标识符

InChIKey：

JRLFRFTXXMZSND-UHFFFAOYSA-N

Inchi：

1S/C2H5N3/c1-3-2-5-4-1/h1,5H,2H2,(H,3,4)

SMILES：

N1CN=CN1

2,3-dihydro-1H-1,2,4-triazole(4671-07-2)物化性质

实验特性

PSA : 36.42
折射率 : 1.664
沸点 : 89.5°C at 760 mmHg
闪点 : 7.9°C
密度 : 1.43

计算特性

精确分子量 : 71.04845
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 71.048
重原子数量 : 5
复杂度 : 48.9
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） : -0.9
拓扑分子极性表面积 : 36.4Å²

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