4-[Cyclohexyl-[[4-[3-(5-isocyanato-3,5-dimethylhexan-3-yl)-2,4-dioxo-1,3-diazetidin-1-yl]-2,4-dimethylpentan-2-yl]carbamoyl]amino]-2,4-dimethylpentane-2-sulfonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 4-[Cyclohexyl-[[4-[3-(5-isocyanato-3,5-dimethylhexan-3-yl)-2,4-dioxo-1,3-diazetidin-1-yl]-2,4-dimethylpentan-2-yl]carbamoyl]amino]-2,4-dimethylpentane-2-sulfonic acid
• 英文别名: 4-[cyclohexyl-[[4-[3-(5-isocyanato-3,5-dimethylhexan-3-yl)-2,4-dioxo-1,3-diazetidin-1-yl]-2,4-dimethylpentan-2-yl]carbamoyl]amino]-2,4-dimethylpentane-2-sulfonic acid
• 化学式: C₃₂H₅₇N₅O₇S
• 分子量: 655.9
• InChiKey: NZEMLCMGQSPAPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  165
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] ANIONIC ISOCYANATE COMPOUND AND ITS USE AS EMULSIFIER<br/>[FR] COMPOSÉ ISOCYANATE ANIONIQUE ET SON UTILISATION COMME ÉMULSIFIANT
  申请人：ROHM & HAAS

  公开号：WO2014067431A1

  公开（公告）日：2014-05-08

  Provided is a composition comprising (a) one or more polyisocyanate, wherein said polyisocyanate has the structure of formula I: A-NCO I and (b) one or more compound having the structure of formula II: A-L-Q-G II wherein A in structure II is identical to A in structure I, L is a linking group formed by a reaction of an isocyanate group with an isocyanate-reactive group, Q is an organic group, and G is an anionic group, and wherein the ratio of the sum of the moles of isocyanate groups plus the moles of said L groups to the moles of said Q groups is 3:1 to 10:1. Also provided is an emulsion in which the particles comprise such a composition and further comprise (c) one or more water-insoluble compound that is different from said polyisocyanate (a).