十六烷基二乙基乙基溴化铵

十六烷基二乙基乙基溴化铵 基本信息
CAS号 13316-70-6 分子式 C22H48BrN
分子量 406.52700 精确质量  405.29700
PSA  0.00000 LogP  4.34820

基本信息 展开↓

CAS号:
13316-70-6
3D弹球模型:
立即前往扯扯看
分子式:
C22H48BrN
分子量:
406.52700
中文名称:
十六烷基二乙基乙基溴化铵
英文名称:
triethyl(hexadecyl)azanium,bromide
中文别名:
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
精确分子量/精确质量:
405.29700
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
236-347-1
InChI:
The Key: HNJXPTMEWIVQQM-UHFFFAOYSA-M

安全信息展开↓

海关代码:
2923900090

合成路线查看所有的合成路线

  • 121-44-8

    三乙胺

  • +

  • 112-82-3

    溴代十六烷

  • ~94%

  • 13316-70-6

    十六烷基二乙基乙基溴化铵

  • 74-96-4

    溴乙烷

  • +

  • 30951-88-3

    N,N-diethyl-1-Hexadecanamine

  • 13316-70-6

    十六烷基二乙基乙基溴化铵

毒理性展开↓

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

海关数据查看详细

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展开↓

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

上下游相关产品

上游产品

更多
  • 121-44-8

    三乙胺

  • 112-82-3

    溴代十六烷

  • 74-96-4

    溴乙烷

  • 30951-88-3

    N,N-diethyl-1-Hexadecanamine

下游产品

更多
  • 74-83-9

    溴甲烷

  • 16023-36-2

    naphthalene-2-sulfonate

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便