L-ornithinium dipicrate | 6153-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: L-ornithinium dipicrate
• 英文别名: picric acid ; D-ornithine-dipicrate；Picrinsaeure; D-Ornithin-dipicrat；D-Ornithin; Dipicrat；Picrinsaeure; (S)-2,5-Diamino-valeriansaeure-dipicrat；L-Ornithin-dipicrat
• CAS: 6153-42-0；107274-07-7
• 化学式: C₅H₁₂N₂O₂*2C₆H₃N₃O₇
• 分子量: 590.374
• InChiKey: WKIKSEOAEQBGPM-FZSMXKCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.25
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  238.99
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  D-鸟氨酸 、 苦味酸 以 水 、 丙酮 为溶剂， 反应 1.33h， 生成 L-ornithinium dipicrate
  参考文献：
  名称：

  Synthesis, crystal growth and physiochemical characterization of organic NLO crystal: L-ornithinium dipicrate (LODP)

  摘要：

  L-ornithinium dipicrate (LODP) has been synthesized and good quality single crystals were grown by slow evaporation method at room temperature. Single crystal XRD confirms that the grown crystal belongs to the monoclinic system with the noncentrosymmetric space group P2(1). Powder X-ray diffraction study confirms the crystalline nature of the compound. FTIR spectral analysis confirms the functional group in the synthesized compound. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. The optical absorption spectrum shows the absence of absorption between 475 nm and 800 nm. The dielectric measurements were carried out to estimate the dielectric parameters of the grown crystal in the frequency range from 50 Hz to 5 MHz at various temperatures. The second harmonic property has been investigated by Kurtz-Perry powder technique. The relative SHG efficiency of LODP is found to be 14.57 times greater than that of the reference material KDP. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.09.084