cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride | 51229-78-8

• 物质功能分类: 化学试剂 - 有机试剂 - 烯烃（环状与无环状）
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
• 英文别名: 1-[(Z)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride
• CAS: 51229-78-8
• 化学式: C9H16Cl2N4
• 分子量: 251.15
• InChiKey: UKHVLWKBNNSRRR-ODZAUARKSA-M

物化性质

• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 颜色/状态：
  Cream colored powder
• 气味：
  Pungent odor
• 沸点：
  Decomposes above 60 °C
• 熔点：
  178-210 °C
• 密度：
  0.4 g/cu cm (bulk density)
• 蒸汽压力：
  <1.0X10-7 mm Hg at 25 °C
• 稳定性/保质期：
  Stable under ambient conditions.
• 分解：
  When heated to decomposition it emits toxic fumes of /hydrogen chlorides and nitrogen oxides/.
• 解离常数：
  Completely ionized in aqueous solutions (97.8%)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.75
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

毒理性

• 副作用

皮肤致敏剂 - 一种可以诱导皮肤产生过敏反应的制剂。

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险品标志：
  F,Xn
• 危险类别码：
  R11
• 危险品运输编号：
  UN 1325 4.1/PG 2
• 海关编码：
  2933990090
• 安全说明：
  S16,S36

反应信息

• 作为反应物：
  描述：

  sodium hydroxide 、 cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride 在 苯 、 Sodium sulfate-III 作用下， 以 水 为溶剂， 反应 0.25h， 以to give the ⟦Carbinolamine⟧ basic oil in an approximately 78% yield as a viscous oil的产率得到Dowicil-200 NaOH
  参考文献：
  名称：

  Poinsettia plant named ‘Dueferra’

  摘要：

  一种新的独特品种的圣诞红星植物，名为“Dueferra”，其特征为：直立或稍微向外扩展和均匀成堆的植株习性；中等生长势；强壮的侧枝；相对较晚的开花习性；花序有大的红色花苞；并具有出色的后期生产寿命。

  公开号：

  USPP029225P2
• 作为产物：
  描述：

  乌洛托品 生成 cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
  参考文献：
  名称：

  ANDRESON, B. A.;OGARKOVA, EH. I.;XAZIPOV, R. X.;ABDRASHITOV, YA. M.

  摘要：

  DOI：

文献信息

• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。
• Polymeric Coatings Incorporating Bioactive Enzymes for Catalytic Function
  申请人：McDaniel C. Steven

  公开号：US20120097194A1

  公开（公告）日：2012-04-26

  Disclosed herein are materials including a polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a coating, a textile finish or a wax; a filler for such a polymeric material or a surface treatment, which includes an enzyme such as an esterase (e.g., a lipolytic enzyme, an organophosphorus compound degradation enzyme), wherein the enzyme decontaminates a chemical from the surface of the material. Also disclosed herein are methods of cleaning a surface of a material that comprises an enzyme.

  本文公开了一种材料，包括聚合物材料，例如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；表面处理，例如涂层、纺织品处理或蜡；用于上述聚合物材料或表面处理的填料，其中包括酶，例如酯酶（例如脂肪水解酶、有机磷化合物降解酶），其中酶可从材料表面去除化学物质。本文还公开了一种清洁含有酶的材料表面的方法。
• Polymeric Coatings Incorporating Bioactive Enzymes for Cleaning a Surface
  申请人：Wales Melinda

  公开号：US20110240064A1

  公开（公告）日：2011-10-06

  Disclosed herein are a materials such as a coating, such as an architectural coating or a CARC coating, comprising a lipolytic enzyme or organophosphorous compound degrading enzyme. Also disclosed herein are methods of decontaminating a surface comprising such a material from a chemical substrate of an enzyme such as a lipid or an organophosphorus compound.

  本文公开了一种材料，例如涂层，如建筑涂层或CARC涂层，包括脂肪水解酶或有机磷化合物降解酶。本文还公开了一种从酶的化学底物，例如脂质或有机磷化合物，中去除此类材料表面的污染物的方法。
• Visual Assays for Coatings Incorporating Bioactive Enzymes for Catalytic Functions
  申请人：Williams Eric B.

  公开号：US20110250626A1

  公开（公告）日：2011-10-13

  Disclosed herein are materials such as a coating, comprising a lipolytic enzyme or organophosphrous compound degrading enzyme. Also disclosed herein are methods of visually detecting enzyme activity in a coating by contacting the coating with a substrate of an enzyme and a visual indicator that changes appearance upon production of a product of enzyme activity on a tack-free coating surface.

  本文公开了一种涂层材料，包括脂肪水解酶或有机磷化合物降解酶。本文还公开了一种方法，通过将涂层与酶底物和视觉指示剂接触，以在无粘涂层表面产生酶活性产物时改变外观来检测酶活性的方法。
• VISUAL ASSAYS FOR COATINGS INCORPORATING BIOACTIVE ENZYMES FOR CATALYTIC FUNCTIONS
  申请人：Reactive Surface, Ltd.

  公开号：US20140196631A1

  公开（公告）日：2014-07-17

  Disclosed herein are materials such as a coating, comprising a lipolytic enzyme or organophosphrous compound degrading enzyme. Also disclosed herein are methods of visually detecting enzyme activity in a coating by contacting the coating with a substrate of an enzyme and a visual indicator that changes appearance upon production of a product of enzyme activity on a tack-free coating surface.

  本文公开了一种涂层材料，包括脂肪水解酶或有机磷化合物降解酶。本文还公开了一种方法，通过将涂层与酶底物和视觉指示剂接触，以在无粘涂层表面产生酶活性产物时改变外观来检测酶活性。