2,5-二甲基苯胺,磷酸 | 832099-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,5-二甲基苯胺,磷酸
• 英文名称: 2,5-Dimethylaniline;phosphoric acid
• 英文别名: 2,5-dimethylaniline;phosphoric acid
• CAS: 832099-75-9
• 化学式: C₈H₁₁N*H₃O₄P
• 分子量: 219.177
• InChiKey: TWNGVFYRAWYUKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  磷酸 、 2,5-二甲基苯胺 以 乙醇 为溶剂， 生成 2,5-二甲基苯胺,磷酸
  参考文献：
  名称：

  Synthesis and characterization of a new monophosphate [2,5-(CH3)2C6H3NH3]H2PO4

  摘要：

  Chemical preparation, calorimetric studies, crystal structure and spectroscopic investigations are given for a new noncentrosymmetric organic cation monophosphate [2,5-(CH3)(2)C6H3NH3]H2PO4. This compound is orthorhombic P2(1)2(1)2(1) with the following unit-cell parameters: a = 5.872(4), b = 20.984(3), c = 8.465(1) Angstrom, Z = 4, V = 1043.0(5) Angstrom(3) and D-x = 1.396 g cm(-3). Crystal structure has been solved and refined to R = 0.048 using 2526 independent reflections. Structure can be described as an inorganic layer parallel to (a, b) planes between which organic groups [2,5-(CH3)(2)C6H3NH3](+) are located. Multiple hydrogen bonds connecting the different entities of compound thrust upon three-dimensional network a noncentrosymmetric configuration. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2004.04.003