22123-53-1 (2-(2,2-dimethylpropylidene)propanedinitrile,2-(2,2-dimethylpropylidene)propanedinitrile)

CAS号:
22123-53-1
中文名称:
2-(2,2-dimethylpropylidene)propanedinitrile
英文名称:
2-(2,2-dimethylpropylidene)propanedinitrile
分子式:
C8H10N2
分子量:
134.178401470184

2-(2,2-dimethylpropylidene)propanedinitrile(22123-53-1)名称与标识符

名称

中文别名:
2-(2,2-dimethylpropylidene)propanedinitrile;
英文别名:
2-(2,2-dimethylpropylidene)propanedinitrile;Malononitrile, neopentylidene-;Propanedinitrile, (2,2-dimethylpropylidene)-;2-neopentylidenemalononitrile;Neopentyliden-malondinitril;2,2-Dimethylpropylidenemalononitrile;2-(2,2-dimethylpropylidene)malononitrile;AC1LBU5Z;1-tert.-butyl-2,2-dicyanoethylene;t-butylmethylidenemalononitrile;1-tert-butyl-2,2-dicyanoethylene;Malononitrile, neopentylidene-; Propanedinitrile, (2,2-dimethylpropylidene)-; 2-neopentylidenemalononitrile; Neopentyliden-malondinitril; 2,2-Dimethylpropylidenemalononitrile; 2-(2,2-dimethylpropylidene)malononitrile; AC1LBU5Z; 1-tert.-butyl-2,2-dicyanoethylene; t-butylmethylidenemalononitrile; 1-tert-butyl-2,2-dicyanoethylene;;DTXSID80340375;(2,2-dimethylpropylidene)malononitrile;22123-53-1;SCHEMBL3707253;2-(2,2-Dimethylpropylidene)malononitrile #;

标识符

InChIKey:
PLIHKJFNCMBRFM-UHFFFAOYSA-N
Inchi:
1S/C8H10N2/c1-8(2,3)4-7(5-9)6-10/h4H,1-3H3
SMILES:
N#C/C(/C#N)=C\C(C)(C)C

2-(2,2-dimethylpropylidene)propanedinitrile(22123-53-1)物化性质

实验特性

  • PSA : 47.58

计算特性

  • 精确分子量 : 134.0845
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 134.084398327g/mol
  • 重原子数量 : 10
  • 复杂度 : 217
  • 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
  • 拓扑分子极性表面积 : 47.6Ų