benzylidene-(1H-[1,2,4]triazol-3-yl)-amine | 110819-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzylidene-(1H-[1,2,4]triazol-3-yl)-amine
• 英文别名: Benzyliden-(1H-[1,2,4]triazol-3-yl)-amin；3-(Benzylideneamino)-1H-1,2,4-triazole；(E)-1-phenyl-N-(1H-1,2,4-triazol-5-yl)methanimine
• CAS: 110819-97-1
• 化学式: C₉H₈N₄
• 分子量: 172.189
• InChiKey: RVXGGSBRFNEABA-UXBLZVDNSA-N

物化性质

• 熔点：
  212 °C
• 沸点：
  377.7±25.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 苯甲醛 生成 benzylidene-(1H-[1,2,4]triazol-3-yl)-amine
  参考文献：
  名称：

  Spectroscopic and conductometric studies on someSchiff bases

  摘要：

  The electronic absorption spectra of some Schiff bases derived from 3-amino-1,2,4-triazole have been investigated in organic solvents of different polarities. Assignment of the absorption bands, solvent effects, and spectral structure correlations are considered. The fundamental IR bands and the main signals in the H-1 NMR spectra are assigned and discussed with respect to the effect of substituents on the phenyl ring. A change of the electrical conductance of the compounds with increasing temperature is observed for the solid samples.

  DOI：

  10.1007/bf00813200

文献信息

• Curtius; Darapsky; Mueller, Chemische Berichte, 1907, vol. 40, p. 833
  作者：Curtius、Darapsky、Mueller

  DOI：——

  日期：——
• Spectroscopic and conductometric studies on someSchiff bases
  作者：M. M. Ayad、I. A. Mansour

  DOI：10.1007/bf00813200

  日期：1995.4

  The electronic absorption spectra of some Schiff bases derived from 3-amino-1,2,4-triazole have been investigated in organic solvents of different polarities. Assignment of the absorption bands, solvent effects, and spectral structure correlations are considered. The fundamental IR bands and the main signals in the H-1 NMR spectra are assigned and discussed with respect to the effect of substituents on the phenyl ring. A change of the electrical conductance of the compounds with increasing temperature is observed for the solid samples.