1-(2-异硫氰酸基乙基)哌嗪 | 165680-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(2-异硫氰酸基乙基)哌嗪
• 英文名称: 1-(2-Isothiocyanato-ethyl)-piperazine
• 英文别名: 1-(2-Isothiocyanatoethyl)piperazine
• CAS: 165680-21-7
• 化学式: C₇H₁₃N₃S
• 分子量: 171.266
• InChiKey: DACHLRDMEDEUQC-UHFFFAOYSA-N

物化性质

• 沸点：
  301.5±27.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-异硫氰酸基乙基)哌嗪 在 肼 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以80%的产率得到1-Amino-3-(2-piperazin-1-ylethyl)thiourea
  参考文献：
  名称：

  Synthesis of new alkylaminoalkyl thiosemicarbazones of 3-acetylindole and their effect on DNA synthesis and cell proliferation

  摘要：

  The preparation of a number of thiosemicarbazones of 3-acetylindole is described. These compounds were evaluated in vitro for their effect on proliferation and cell-division delays in cultured human peripheral blood lymphocytes, and their effect on DNA synthesis in T-cell leukemia Molt-4 cells.

  DOI：

  10.1016/0223-5234(96)88215-8
• 作为产物：
  描述：

  N-氨乙基哌嗪 、 二硫化碳 在 氯甲酸乙酯 、 三乙胺 作用下， 生成 1-(2-异硫氰酸基乙基)哌嗪
  参考文献：
  名称：

  Synthesis of new alkylaminoalkyl thiosemicarbazones of 3-acetylindole and their effect on DNA synthesis and cell proliferation

  摘要：

  The preparation of a number of thiosemicarbazones of 3-acetylindole is described. These compounds were evaluated in vitro for their effect on proliferation and cell-division delays in cultured human peripheral blood lymphocytes, and their effect on DNA synthesis in T-cell leukemia Molt-4 cells.

  DOI：

  10.1016/0223-5234(96)88215-8

文献信息

• Synthesis of new alkylaminoalkyl thiosemicarbazones of 3-acetylindole and their effect on DNA synthesis and cell proliferation
  作者：T Siatra-Papastaikoudi、A Tsotinis、CP Raptopoulou、C Sambani、H Thomou

  DOI：10.1016/0223-5234(96)88215-8

  日期：1995.1

  The preparation of a number of thiosemicarbazones of 3-acetylindole is described. These compounds were evaluated in vitro for their effect on proliferation and cell-division delays in cultured human peripheral blood lymphocytes, and their effect on DNA synthesis in T-cell leukemia Molt-4 cells.