1-Propanaminium,2-hydroxy-N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride(1:1)
- 中文别名：(3-羟丙基)三甲基氯化铵-2-羟基巴豆酸酯
- 中文释义：(3-羟丙基)三甲基氯化铵-2-羟基巴豆酸酯;(2-羟基-3-丙烯酸氧基丙基)三甲基氯化铵;[(2-羟巴豆酰氧)丙基]三甲基氯化铵
- 英文别名：[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium,chloride;
2-Hydroxy-3-(methacryloyloxy)-N,N,N-trimethylpropan-1-aminium chloride;
2-hydroxy-3-methacryloyloxypropyltrimethylammonium chloride;
3-methacryloyloxy-2-hydroxypropyltrimethylammonium chloride;
{2-hydroxy-3-[(2-methyl-1-oxoallyl)oxy]propyl}trimethylammonium chloride;
UNII-513ON4WDOL;
(2-Hydroxy-3-methacryloxypropyl)trimethylammonium chloride
- CAS No.：13052-11-4
- 分子式：
C10H20NO3.Cl
- 分子量：237.72
- 精确分子量：237.11300
- PSA：46.53000
- InChI：The Key: LOPVAWVHGAWUPS-UHFFFAOYSA-M
- 分子结构式：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- BR5650000
- CHEMICAL NAME :
- Ammonium, (3-hydroxypropyl)trimethyl-, chloride, 2-hydroxycrotonate
- CAS REGISTRY NUMBER :
- 13052-11-4
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H20-N-O3.Cl
- MOLECULAR WEIGHT :
- 237.76
- WISWESSER LINE NOTATION :
- 2UYQVO3K1&1&1 &G
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05613
海关数据
中国海关编码：2923900090
- 概述：
- 2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:1
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积46.5
7.重原子数量:15
8.表面电荷:0
9.复杂度:218
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
