heptanoic acid (4-heptanoylamino-butyl)amide | 148868-02-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: heptanoic acid (4-heptanoylamino-butyl)amide
• 英文别名: N-[4-(heptanoylamino)butyl]heptanamide
• CAS: 148868-02-4
• 化学式: C₁₈H₃₆N₂O₂
• 分子量: 312.496
• InChiKey: YTCAKOYMIAIELL-UHFFFAOYSA-N

物化性质

• 沸点：
  527.9±33.0 °C(predicted)
• 密度：
  0.925±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  heptanoic acid (4-heptanoylamino-butyl)amide 在 硼烷四氢呋喃络合物 作用下， 生成 N,N'-diheptyl-1,4-butylenediamine
  参考文献：
  名称：

  Competitive Formation of N-Diazeniumdiolates and N-Nitrosamines via Anaerobic Reactions of Polyamines with Nitric Oxide

  摘要：

  Reactions of amines with nitric oxide (NO) at high pressures form diverse NO donor species, highly dependent on the precursor structure. While monoamine precursors favor the formation of N-diazeniumdiolates in high yield, polyamines exhibit competitive formation of N-nitrosamines and diazeniumdiolates, resulting in mixed products containing significant percentages of undesired N-nitroso compounds.

  DOI：

  10.1021/ol902282y
• 作为产物：
  描述：

  四亚甲基二胺 、 庚酰氯 在 三乙胺 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 heptanoic acid (4-heptanoylamino-butyl)amide
  参考文献：
  名称：

  Competitive Formation of N-Diazeniumdiolates and N-Nitrosamines via Anaerobic Reactions of Polyamines with Nitric Oxide

  摘要：

  Reactions of amines with nitric oxide (NO) at high pressures form diverse NO donor species, highly dependent on the precursor structure. While monoamine precursors favor the formation of N-diazeniumdiolates in high yield, polyamines exhibit competitive formation of N-nitrosamines and diazeniumdiolates, resulting in mixed products containing significant percentages of undesired N-nitroso compounds.

  DOI：

  10.1021/ol902282y

文献信息

• Competitive Formation of <i>N</i>-Diazeniumdiolates and <i>N</i>-Nitrosamines via Anaerobic Reactions of Polyamines with Nitric Oxide
  作者：Peter N. Coneski、Mark H. Schoenfisch

  DOI：10.1021/ol902282y

  日期：2009.12.3

  Reactions of amines with nitric oxide (NO) at high pressures form diverse NO donor species, highly dependent on the precursor structure. While monoamine precursors favor the formation of N-diazeniumdiolates in high yield, polyamines exhibit competitive formation of N-nitrosamines and diazeniumdiolates, resulting in mixed products containing significant percentages of undesired N-nitroso compounds.