| 1192690-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1192690-54-2
• 化学式: C₈H₈INO
• 分子量: 267.985
• InChiKey: YXNAWCUIZOCJNG-BNUYUSEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  KEEPPHHEVPESETC 、 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of 13C7-labeled iodoacetanilide and application to quantitative analysis of peptides and a protein by isotope differential mass spectrometry

  摘要：

  C-13(7)-Labeled iodoacetanilide has been synthesized for specific labeling of sulfhydryl groups of cysteine residues and has been successfully applied to quantitative analysis of peptides and a commercial protein in combination with C-13-unlabeled iodoacetanilide and a MALDI mass spectrometer. Subsequent tandem mass spectrum analysis revealed that C-13(7)-labeled iodoacetanilide remained intact during the collision-induced dissociation ( CID) conditions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.011
• 作为产物：
  描述：

  碘乙酸-2-¹³C 、 苯胺-13C6 在 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Synthesis of 13C7-labeled iodoacetanilide and application to quantitative analysis of peptides and a protein by isotope differential mass spectrometry

  摘要：

  C-13(7)-Labeled iodoacetanilide has been synthesized for specific labeling of sulfhydryl groups of cysteine residues and has been successfully applied to quantitative analysis of peptides and a commercial protein in combination with C-13-unlabeled iodoacetanilide and a MALDI mass spectrometer. Subsequent tandem mass spectrum analysis revealed that C-13(7)-labeled iodoacetanilide remained intact during the collision-induced dissociation ( CID) conditions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.011