| 374689-08-4

• CAS: 374689-08-4
• 化学式: C₅H₁₂N*Cl*HO₄P*Zn
• 分子量: 282.979
• InChiKey: FQZAYGIJUHYVRA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.46
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  100.03
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  哌啶 、 磷酸 、 zinc(II) chloride 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structure determination of a piperidinium Zn(HPO4)ClC5H12N

  摘要：

  This article deals with the synthesis and X-ray structure determination of a new bidimentional zincophosphate (ZnPO) with formula Zn(HPO4)ClC5H12N. This phase crystallizes in the orthorhombic space group Pbca (No. 61) with parameters: a = 8.767(2) Angstrom; b = 24.678(7) Angstrom; c = 9.322(2) Angstrom; V = 2016.8(1) Angstrom (3); Z = 8. Structure of this compound is determined: R = 0.026 R-W = 0.033 and characterized with IR, TGA/DSC, and NMR. The structure consists of anionic parallel [Zn(HPO4)Cl](-) sheets alternating with thick slabs of organic molecules (C5H12N)(+). The organic molecules are linked to the anionic sheets through hydrogen bonds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0025-5408(01)00702-4