N-isopropylbenzylammonium trifluoromethanesulfonate | 1567780-52-2

• 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: N-isopropylbenzylammonium trifluoromethanesulfonate
• CAS: 1567780-52-2
• 化学式: CHF₃O₃S*C₁₀H₁₅N
• 分子量: 299.314
• InChiKey: QWWAAMOZJXNXLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  三氟甲磺酸 、 N-苄基异丙胺 以 乙醇 为溶剂， 生成 N-isopropylbenzylammonium trifluoromethanesulfonate
  参考文献：
  名称：

  Temperature-induced reversible isostructural phase transition in N-isopropylbenzylammonium trifluoromethanesulfonate

  摘要：

  A novel organic molecular phase transition material, N-isopropylbenzylamine trifluoromethanesulfonate (1), which displays the reversible tunable dielectric behavior, has been successfully assembled by the intermolecular hydrogen-bonds. It undergoes a first-order solid-to-solid state phase transition at 189.7K (T-c), being confirmed by thermal analyses including differential scanning calorimetry (DSC), specific heat (C-p) and dielectric measurements. The dielectric constant and dielectric loss of 1 exhibit obvious anomalies and slight tunabilities triggered by heating when the temperature increases approaching to T-c. Variable-temperature single crystal X-ray diffraction demonstrates that the origin of its phase transition may be ascribed to the order-disorder transformation of trifluoromethanesulfonate anions, together with the slight twisting motions of the isopropyl groups in N-isopropylbenzylammonium cation. All the findings make us believe that I might be a potential phase transition material. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.01.006