dodecylcarbamoylmethyltrimethylammonium chloride

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dodecylcarbamoylmethyltrimethylammonium chloride
• 英文别名: (1-Amino-1-oxotetradecan-2-yl)-trimethylazanium;chloride；(1-amino-1-oxotetradecan-2-yl)-trimethylazanium;chloride
• 化学式: C₁₇H₃₇N₂O*Cl
• 分子量: 320.947
• InChiKey: YHJIYDTUHSRMHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  十二烷基伯胺 、 氯乙酰氯 在 三乙胺 、 三甲胺 作用下， 以 甲醇 、 乙醇 、 正己烷 、 氯仿 、 水 为溶剂， 生成 dodecylcarbamoylmethyltrimethylammonium chloride
  参考文献：
  名称：

  Hair Growth Regulating Agent

  摘要：

  一种含有以下式（I）所代表的化合物作为活性成分的头发生长调节剂：[其中R1代表取代或未取代的直链或支链C2至C25烷基团；由以下式（II）表示的基团：（其中R1'代表取代或未取代的直链或支链C2至C20烷基烯基团，或者—（CH2）n-{O—（CH2）m}o-O—（CH2）p-，其中n，m，o和p中的每个都是1至6的整数；X'代表—CO—NH—，—O—CO—O—，—NH—CO—，—CO—O—，—O—CO—或—O—；Y'代表取代或未取代的C1至C4烷基烯基团；R2'代表氢原子或C1至C4烷基团；R3'代表C1至C4烷基团；当R2'和R3'各自代表C1至C4烷基团时，这两个烷基团可以相同或不同）；或由以下式（III）表示的基团：（其中R1'，X'和Y'的含义与上述定义相同；R4'，R5'和R6'，可以相同也可以不同，各代表C1至C4烷基团；A'-代表一个对离子）；X代表—CO—NH—，—O—CO—O—，—NH—CO—，—CO—O—，—O—CO—或—O—；Y代表取代或未取代的C1至C4烷基烯基团；R2代表氢原子或C1至C4烷基团；R3代表C1至C4烷基团；当R2和R3各自代表C1至C4烷基团时，这两个烷基团可以相同或不同]或该化合物的盐；和/或由以下式（IV）所代表的季铵盐：（其中R1，X和Y的含义与上述定义相同；R4，R5和R6，可以相同也可以不同，各代表C1至C4烷基团；A-代表一个对离子）。

  公开号：

  US20110130456A1

文献信息

• HAIR GROWTH REGULATING AGENT
  申请人：Kao Corporation

  公开号：EP2318099A2

  公开（公告）日：2011-05-11
• US8440717B2
  申请人：——

  公开号：US8440717B2

  公开（公告）日：2013-05-14
• [EN] HAIR GROWTH REGULATING AGENT<br/>[FR] AGENT DE RÉGULATION DE LA CROISSANCE CAPILLAIRE
  申请人：KAO CORP

  公开号：WO2010016606A2

  公开（公告）日：2010-02-11

  A hair growth regulating agent containing, as an active ingredient, a compound represented by the following formula (I): [wherein R1 represents a substituted or unsubstituted, linear or branched C2 to C25 alkyl group; a group represented by the following formula (II): (wherein R1' represents a substituted or unsubstituted, linear or branched C2 to C20 alkylene group, or -(CH2)n-O-(CH2)m}o-O-(CH2)p- in which each of n, m, o, and p is an integer from 1 to 6; X' represents -CO-NH-, -O-CO-O-, -NH-CO-, -CO-O-, -O-CO-, or -O-; Y' represents a substituted or unsubstituted C1 to C4 alkylene group; R2' represents a hydrogen atom or a C1 to C4 alkyl group; R3' represents a C1 to C4 alkyl group; and when R2' and R3' each represent a C1 to C4 alkyl group, the two alkyl groups may be identical to or different from each other); or a group represented by the following formula (III): (wherein R1', X', and Y' have the same meanings as defined above; R4', R5', and R6', which may be identical to or different from one another, each represent a C1 to C4 alkyl group; and A'- represents a counter ion); X represents -CO-NH-, -O-CO-O-, -NH-CO-, -CO-O-, -O-CO-, or -O-; Y represents a substituted or unsubstituted C1 to C4 alkylene group; R2 represents a hydrogen atom or a C1 to C4 alkyl group; R3 represents a C1 to C4 alkyl group; and when R2 and R3 each represent a C1 to C4 alkyl group, the two alkyl groups may be identical to or different from each other] or a salt of the compound; and/or a quaternary ammonium salt represented by the following formula (IV): (wherein R1, X, and Y have the same meanings as defined above; R4, R5, and R6, which may be identical to or different from one another, each represent a C1 to C4 alkyl group; and A- represents a counter ion).
• Hair Growth Regulating Agent
  申请人：Suzuki Yasuto

  公开号：US20110130456A1

  公开（公告）日：2011-06-02

  A hair growth regulating agent containing, as an active ingredient, a compound represented by the following formula (I): [wherein R1 represents a substituted or unsubstituted, linear or branched C2 to C25 alkyl group; a group represented by the following formula (II): (wherein R1′ represents a substituted or unsubstituted, linear or branched C2 to C20 alkylene group, or —(CH2)n-O—(CH2)m}o-O—(CH2)p- in which each of n, m, o, and p is an integer from 1 to 6; X′ represents —CO—NH—, —O—CO—O—, —NH—CO—, —CO—O—, —O—CO—, or —O—; Y′ represents a substituted or unsubstituted C1 to C4 alkylene group; R2′ represents a hydrogen atom or a C1 to C4 alkyl group; R3′ represents a C1 to C4 alkyl group; and when R2′ and R3′ each represent a C1 to C4 alkyl group, the two alkyl groups may be identical to or different from each other); or a group represented by the following formula (III): (wherein R1′, X′, and Y′ have the same meanings as defined above; R4′, R5′, and R6′, which may be identical to or different from one another, each represent a C1 to C4 alkyl group; and A′- represents a counter ion); X represents —CO—NH—, —O—CO—O—, —NH—CO—, —CO—O—, —O—CO—, or —O—; Y represents a substituted or unsubstituted C1 to C4 alkylene group; R2 represents a hydrogen atom or a C1 to C4 alkyl group; R3 represents a C1 to C4 alkyl group; and when R2 and R3 each represent a C1 to C4 alkyl group, the two alkyl groups may be identical to or different from each other] or a salt of the compound; and/or a quaternary ammonium salt represented by the following formula (IV): (wherein R1, X, and Y have the same meanings as defined above; R4, R5, and R6, which may be identical to or different from one another, each represent a C1 to C4 alkyl group; and A- represents a counter ion).

  一种含有以下式（I）所代表的化合物作为活性成分的头发生长调节剂：[其中R1代表取代或未取代的直链或支链C2至C25烷基团；由以下式（II）表示的基团：（其中R1'代表取代或未取代的直链或支链C2至C20烷基烯基团，或者—（CH2）n-O—（CH2）m}o-O—（CH2）p-，其中n，m，o和p中的每个都是1至6的整数；X'代表—CO—NH—，—O—CO—O—，—NH—CO—，—CO—O—，—O—CO—或—O—；Y'代表取代或未取代的C1至C4烷基烯基团；R2'代表氢原子或C1至C4烷基团；R3'代表C1至C4烷基团；当R2'和R3'各自代表C1至C4烷基团时，这两个烷基团可以相同或不同）；或由以下式（III）表示的基团：（其中R1'，X'和Y'的含义与上述定义相同；R4'，R5'和R6'，可以相同也可以不同，各代表C1至C4烷基团；A'-代表一个对离子）；X代表—CO—NH—，—O—CO—O—，—NH—CO—，—CO—O—，—O—CO—或—O—；Y代表取代或未取代的C1至C4烷基烯基团；R2代表氢原子或C1至C4烷基团；R3代表C1至C4烷基团；当R2和R3各自代表C1至C4烷基团时，这两个烷基团可以相同或不同]或该化合物的盐；和/或由以下式（IV）所代表的季铵盐：（其中R1，X和Y的含义与上述定义相同；R4，R5和R6，可以相同也可以不同，各代表C1至C4烷基团；A-代表一个对离子）。