2-Propanamine, N-(1-methylethyl)-, nitrate | 6143-52-8

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 2-Propanamine, N-(1-methylethyl)-, nitrate
• 英文别名: nitric acid;N-propan-2-ylpropan-2-amine
• CAS: 6143-52-8
• 化学式: C₆H₁₅N*HNO₃
• 分子量: 164.205
• InChiKey: ATRJUGQFMHVSMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二异丙胺 在 硝酸 作用下， 以 水 为溶剂， 生成 2-Propanamine, N-(1-methylethyl)-, nitrate
  参考文献：
  名称：

  抗衡阴离子对二异丙基铵阳离子分子晶体铁电性能的影响

  摘要：

  Diisopropylammonium cation based single crystals with different counter anions (F−, Cl−, Br−, I−, , and ) were prepared. Their crystal structures and ferroelectric properties were investigated by single‐crystal X‐ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium‐based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase‐transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density‐functional theory (DFT) calculations also support the experimental results.

  DOI：

  10.1002/pssa.201700029

文献信息

• JPH02160542A
  申请人：——

  公开号：JPH02160542A

  公开（公告）日：1990-06-20
• US4253886A
  申请人：——

  公开号：US4253886A

  公开（公告）日：1981-03-03
• Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals
  作者：Chunli Jiang、Wen-Yi Tong、Hechun Lin、Chunhua Luo、Hui Peng、Chun-Gang Duan

  DOI：10.1002/pssa.201700029

  日期：2017.6

  Diisopropylammonium cation based single crystals with different counter anions (F−, Cl−, Br−, I−, , and ) were prepared. Their crystal structures and ferroelectric properties were investigated by single‐crystal X‐ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium‐based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase‐transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density‐functional theory (DFT) calculations also support the experimental results.