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Cyclohexanecarbonitrile,1-(ethylamino)- | 22912-24-9

Product Name:Cyclohexanecarbonitrile,1-(ethylamino)-

CAS No:22912-24-9
MF:C9H16N2
MW:152.23674
CID:257088
PubChem ID:211339
Names and Identifiers
  • Cyclohexanecarbonitrile,1-(ethylamino)-
  • 1-(ethylamino)cyclohexane-1-carbonitrile
  • 1-(Ethylamino)cyclohexanecarbonitrile
  • DTXSID50177458
  • Cyclohexanecarbonitrile, 1-(ethylamino)-
  • AKOS009235599
  • BRN 2802544
  • 22912-24-9
  • 1-ethylaminocyclohexanecarbonitrile
  • InChIKey:FVHNIWSSACDLBF-UHFFFAOYSA-N
  • Inchi:InChI=1S/C9H16N2/c1-2-11-9(8-10)6-4-3-5-7-9/h11H,2-7H2,1H3
  • SMILES:C(NC1(C#N)CCCCC1)C
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 152.13148
  • 氢键供体数量: 1
  • 氢键受体数量: 2
  • 可旋转化学键数量: 2
  • 同位素质量: 152.131348519g/mol
  • 重原子数量: 11
  • 复杂度: 160
  • 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): 1.6
  • 拓扑分子极性表面积: 35.8Ų

Experimental Properties

  • PSA: 35.82
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