(4-nitrobenzyl)trimethylammonium iodide | 27953-21-5

• 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: (4-nitrobenzyl)trimethylammonium iodide
• 英文别名: trimethyl-(4-nitro-benzyl)-ammonium; iodide；Trimethyl-(4-nitro-benzyl)-ammonium; Jodid；Trimethyl-(p-nitro-benzyl)-ammonium；N,N,N-Trimethyl(4-nitrophenyl)methanaminium iodide；trimethyl-[(4-nitrophenyl)methyl]azanium;iodide
• CAS: 27953-21-5
• 化学式: C₁₀H₁₅N₂O₂*I
• 分子量: 322.146
• InChiKey: YGJDGTGJQOWMBW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.19
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基亚磺酰-1-苯乙酮 、 (4-nitrobenzyl)trimethylammonium iodide 以60%的产率得到
  参考文献：
  名称：

  HONG, LIN;CHEN, LI-YA;YANG, KE;ZHAO, YONG-GEN, CHIN. J. ORG. CHEM., 8,(1988) N 2, 128-130

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(氯甲基)-4-硝基苯 生成 (4-nitrobenzyl)trimethylammonium iodide
  参考文献：
  名称：

  Stedman, Journal of the Chemical Society, 1927, p. 1904

  摘要：

  DOI：

文献信息

• Performance Engineering, PSEs and the GRID
  作者：Tony Hey、Juri Papay

  DOI：10.1155/2002/354024

  日期：——

  Performance Engineering is concerned with the reliable prediction and estimation of the performance of scientific and engineering applications on a variety of parallel and distributed hardware. This paper reviews the present state of the art in 'Performance Engineering' for both parallel computing and meta-computing environments and attempts to look forward to the application of these techniques in the wider context of Problem Solving Environments and the Grid. The paper compares various techniques such as benchmarking, performance measurements, analytical modelling and simulation, and highlights the lessons learned in the related projects. The paper concludes with a discussion of the challenges of extending such methodologies to computational Grid environments.

  性能工程关注科学和工程应用在各种并行和分布式硬件上性能的可靠预测和估计。本文回顾了当前关于并行计算和元计算环境中“性能工程”的现状，并试图展望这些技术在更广泛的问题解决环境和网格应用中的应用。本文比较了各种技术，如基准测试、性能测量、分析建模和仿真，并强调了相关项目中所学到的经验教训。本文最后讨论了将这些方法扩展到计算网格环境所面临的挑战。
• "Hydrophobic" binding of water-soluble guests by high-symmetry, chiral hosts. An electron-rich receptor site with a general affinity for quaternary ammonium compounds and electron-deficient .pi. systems
  作者：Michael A. Petti、Timothy J. Shepodd、Richard E. Barrans、Dennis A. Dougherty

  DOI：10.1021/ja00228a036

  日期：1988.9
• CCXCIV.—The nature of the alternating effect in carbon chains. Part XXIX. Further experiments bearing on the problem of the ortho-para ratio in aromatic substitution
  作者：Christopher Kelk Ingold、Charles Cyril Norrey Vass

  DOI：10.1039/jr9280002262

  日期：——
• Ing; Robinson, Journal of the Chemical Society, 1926, p. 1665
  作者：Ing、Robinson

  DOI：——

  日期：——
• HONG LIN; YANG KE; LIU YABAO, J. HANGZHOU UNIV. NATUR. SCI. ED., 13,(1986) N 3, 335-339
  作者：HONG LIN、 YANG KE、 LIU YABAO

  DOI：——

  日期：——