Bis(dimethylaminoisocyanat) | 29938-12-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Bis(dimethylaminoisocyanat)
• 英文别名: 1,3-bis-dimethylamino-[1,3]diazetidine-2,4-dione；1,3-Bis(dimethylamino)-1,3-diazetidine-2,4-dione
• CAS: 29938-12-3
• 化学式: C₆H₁₂N₄O₂
• 分子量: 172.187
• InChiKey: NZSYWDGOOQGPGE-UHFFFAOYSA-N

物化性质

• 沸点：
  195.0±23.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  47.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-dimethyl-N'-carbotrimethylsiloxy-N'-trimethylsilylhydrazine 生成 Bis(dimethylaminoisocyanat)
  参考文献：
  名称：

  Synthesis and some physicochemical properties of the carbazine acid silyl esters

  摘要：

  Structure of the dimethylcarbazine acid trimethylsilyl ether and pyrolysis of its derivative, the trimethylsilyl ester of N,N-dimethyl-N'-trimethylsilylcarbazine acid, were studied by the metods of X-ray diffraction and gas chromatography/mass spectrometry. The presence of the bifurcated hydrogen bonds between the trimethylsilyl dimethylcarbazinate molecules was detected. It was revealed why impossible to obtain dimethylaminoisocyanate even by the low-temperature pyrolysis.

  DOI：

  10.1134/s1070363211110077

文献信息

• Glemser,O.; Kluever,H., Chemische Berichte, 1970, vol. 103, p. 3661 - 3666
  作者：Glemser,O.、Kluever,H.

  DOI：——

  日期：——
• Synthesis and some physicochemical properties of the carbazine acid silyl esters
  作者：A. D. Kirilin、L. O. Belova、M. V. Pletneva、V. D. Sheludyakov、A. A. Korlyukov

  DOI：10.1134/s1070363211110077

  日期：2011.11

  Structure of the dimethylcarbazine acid trimethylsilyl ether and pyrolysis of its derivative, the trimethylsilyl ester of N,N-dimethyl-N'-trimethylsilylcarbazine acid, were studied by the metods of X-ray diffraction and gas chromatography/mass spectrometry. The presence of the bifurcated hydrogen bonds between the trimethylsilyl dimethylcarbazinate molecules was detected. It was revealed why impossible to obtain dimethylaminoisocyanate even by the low-temperature pyrolysis.