(2-(对硝基苯基)乙基)三甲基碘化铵 | 7101-10-2

• 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-(对硝基苯基)乙基)三甲基碘化铵
• 英文名称: (2-(p-nitrophenyl)ethyl)trimethylammonium iodide
• 英文别名: trimethyl-(4-nitro-phenethyl)-ammonium; iodide；Trimethyl-(4-nitro-phenaethyl)-ammonium; Jodid；P-NITRO PHENETHYL TRIMETHYL AMMONIUM IODIDE；4-Nitrophenethyltrimethylammoniumjodid；Trimethyl-[2-(4-nitrophenyl)ethyl]azanium;iodide
• CAS: 7101-10-2
• 化学式: C₁₁H₁₇N₂O₂*I
• 分子量: 336.173
• InChiKey: NQAOSQAJKCKXLO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.15
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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-(对硝基苯基)乙基)三甲基碘化铵 在 氢氧化钾 作用下， 生成 4-硝基苯乙烯
  参考文献：
  名称：

  Elimination reactions of N-[2-(p-nitrophenyl)ethyl]alkylammonium ions by an E1cB mechanism

  摘要：

  DOI：

  10.1021/ja00340a021
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 (2-(对硝基苯基)乙基)三甲基碘化铵
  参考文献：
  名称：

  A Study of the Decomposition of p-Nitrophenethyltrimethylammonium Iodide by Means of the Hydrogen Isotope Effect¹

  摘要：

  DOI：

  10.1021/ja01566a075

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。
• Compounds and methods for sequencing amino acids
  申请人：Biomedical Research Centre Limited

  公开号：US05534440A1

  公开（公告）日：1996-07-09

  The present invention provides methods and reagents for sequencing amino acids. One embodiment of the method for determining the terminal amino acid of a polypeptide comprises the steps of (a) attaching (either covalently or non-covalently) the polypeptide to a solid support, (b) reacting the polypeptide with a compound described below, under conditions and for a time sufficient for coupling to occur between the terminal amino acid of the polypeptide and the compound, thereby yielding a polypeptide with a derivatized terminal amino acid, (c) washing the solid support to remove unbound material, (d) cleaving the derivatized terminal amino acid from the polypeptide with a cleaving agent, (e) ionizing the cleaved derivatized terminal amino acid, and (f) determining the molecular weight of the derivatized terminal amino acid, such that the terminal amino acid is determined. Within one embodiment, the compound is p-isothiocyanato phenethyl trimethylammonium and counterion salts thereof.

  本发明提供了测序氨基酸的方法和试剂。用于确定多肽的末端氨基酸的方法的一个实施例包括以下步骤：(a)将多肽与固体支撑物共价或非共价地连接，(b)在足够的条件和时间下将多肽与下文描述的化合物反应，使多肽的末端氨基酸与该化合物之间发生偶联，从而得到一个带有衍生末端氨基酸的多肽，(c)清洗固体支撑物以去除未结合的物质，(d)用裂解剂从多肽中裂解带有衍生末端氨基酸，(e)对裂解的带有衍生末端氨基酸进行离子化，(f)确定带有衍生末端氨基酸的分子量，从而确定末端氨基酸。在一个实施例中，该化合物是对硫代氰基苯乙基三甲基铵及其对应的盐。
• Johnson; Guest, Journal of the American Chemical Society, 1910, vol. 32, p. 769
  作者：Johnson、Guest

  DOI：——

  日期：——
• Specificity in the micellar catalysis of a Hofmann elimination
  作者：M. J. Minch、Shin-Shin Chen、Richard Peters

  DOI：10.1021/jo00395a007

  日期：1978.1