7126-27-4 (4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid,4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic Acid)

CAS号:
7126-27-4
中文名称:
4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid
英文名称:
4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic Acid
分子式:
C10H12N2O6
分子量:
256.212082862854

4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid(7126-27-4)名称与标识符

名称

中文别名:
4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid;
英文别名:
4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic Acid;N,N'-Ethylenebisdodecanamide;N,N'-Aethandiyl-bis-maleamidsaeure;Laurinsaeure-ethylendiamid;N,N'-(1,2-Ethanediyl)bis(dodecanamide);N,N'-Aethandiyl-bis-lauramid;ethylene bisdodecanamide;N-(2-dodecanoylaminoethyl)dodecanamide;N,N'-bis(dodecanoyl)-1,2-ethylenediamine;N,N'-(1,2-Ethanediyl)bis(lauric amide);N,N'-bis(3-carboxy-1-oxo-2-prop-2-enyl)ethylenediamine;dodecanamide, N,N'-1,2-ethanediylbis-;Dodecanamide, N,N-1,2-ethanediylbis-;N,N'-ethanediyl-bis-maleamic acid;N,N'-Ethylenebis(lauric amide);N,N'-Ethylenedimaleamic acid;N,N'-ethanediyl-bis-lauramide;N,N'-Ethylenebisdodecanamide; N,N'-Aethandiyl-bis-maleamidsaeure; Laurinsaeure-ethylendiamid; N,N'-(1,2-Ethanediyl)bis(dodecanamide); N,N'-Aethandiyl-bis-lauramid; ethylene bisdodecanamide; N-(2-dodecanoylaminoethyl)dodecanamide; N,N'-bis(dodecanoyl)-1,2-ethylenediamine; N,N'-(1,2-Ethanediyl)bis(lauric amide); N,N'-bis(3-carboxy-1-oxo-2-prop-2-enyl)ethylenediamine; dodecanamide, N,N'-1,2-ethanediylbis-; Dodecanamide, N,N-1,2-ethanediylb;3-[2-(3-carboxyprop-2-enoylamino)ethylcarbamoyl]prop-2-enoic acid;NSC47048;D86934;4,4'-(Ethane-1,2-diylbis(azanediyl))bis(4-oxobut-2-enoic acid);NSC-47048;7126-27-4;63321-72-2;SCHEMBL10578491;(E)-4-[2-[[(E)-3-Carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid;

标识符

MDL:
MFCD32263476
InChIKey:
OYNNHEMQCZQNEW-ZPUQHVIOSA-N
Inchi:
1S/C10H12N2O6/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18/h1-4H,5-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/b3-1+,4-2+
SMILES:
O=C(/C=C/C(=O)O)NCCNC(/C=C/C(=O)O)=O

4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid(7126-27-4)物化性质

实验特性

  • LogP : -0.71780
  • PSA : 132.8
  • 折射率 : 1.56
  • 沸点 : 712.1°C at 760 mmHg
  • 闪点 : 384.5°C
  • 密度 : 1.408

计算特性

  • 精确分子量 : 256.06956
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 同位素质量 : 256.07
  • 重原子数量 : 18
  • 复杂度 : 361
  • 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 : 2
  • 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 : 133Ų

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