1-Hexadecanaminium,N,N,N-triethyl-, bromide (1:1)
- 中文别名：十六烷基二乙基乙基溴化铵
- 中文释义：十六烷基二乙基乙基溴化铵
- 英文别名：triethyl(hexadecyl)azanium,bromide;
cetyl-triethylammonium bromide;
Ammonium,cetyldiethylethyl-,bromide;
Triethylhexadecylammonium bromide;
n,n,n-triethylhexadecan-1-aminium bromide;
CDEA Br;
cetyltriethylammnonium bromide;
Hexadecyltriethylammonium bromide;
N,N,N-Triethyl-1-hexadecanaminium bromide;
EINECS 236-347-1;
1-Hexadecanaminium,N,N,N-triethyl-,bromide
- CAS No.：13316-70-6
- 分子式：
C22H48N.Br
- 分子量：406.62
- 精确分子量：405.29700
- PSA：0.00000
- InChI：The Key: HNJXPTMEWIVQQM-UHFFFAOYSA-M
- 分子结构式：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- BP4375000
- CHEMICAL NAME :
- Ammonium, cetyldiethylethyl-, bromide
- CAS REGISTRY NUMBER :
- 13316-70-6
- LAST UPDATED :
- 199512
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C22-H48-N.Br
- MOLECULAR WEIGHT :
- 406.62
- WISWESSER LINE NOTATION :
- 16K2&2&2 &E
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,428,1949 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,428,1949
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,428,1949 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1200 mg/kg/23D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,428,1949 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 900 mg/kg
- SEX/DURATION :
- female 8-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
- REFERENCE :
- TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 7,7,1987
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:0
3.氢键受体数量:1
4.可旋转化学键数量:18
5.互变异构体数量:无
6.拓扑分子极性表面积:0
7.重原子数量:24
8.表面电荷:0
9.复杂度:212
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:0
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
