氢氧化(羧甲基二甲基十六烷基铵)内盐

氢氧化(羧甲基二甲基十六烷基铵)内盐 基本信息
CAS号 693-33-4 分子式 C21H45NO3
分子量 359.58700 精确质量  359.34000
PSA  49.36000 LogP  5.54030

基本信息 展开↓

CAS号:
693-33-4
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分子式:
C21H45NO3
分子量:
359.58700
中文名称:
氢氧化(羧甲基二甲基十六烷基铵)内盐
英文名称:
2-[hexadecyl(dimethyl)azaniumyl]acetate
中文别名:
氢氧化(羧甲基二甲基十六烷基铵)内盐;
十六烷基甜菜碱
英文别名:
2-[hexadecyl(dimethyl)azaniumyl]acetate;
cetyl betaine;
Product HDN;
Lonzaine 16S;
N-hexadecyl-betaine;
C16BET;
N,N-Dimethyl-N-hexadecylglycine;
Palmityldimethylbetaine;
N-n-hexadecyl-N,N-dimethyl-glycin;
Carboxymethyl-hexadecyl-dimethyl-ammonium-betain;
carboxymethyl-hexadecyl-dimethyl-ammonium betaine
精确分子量/精确质量:
359.34000
极性分子表面积/PSA:
49.36000
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:
211-748-4
InChI:
InChI=1/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20(22)23/h4-19H2,1-3H3

合成路线查看所有的合成路线

  • 74729-09-2

    methyl N-hexadecyl-N,N-dimethylglycinate chloride

  • 67-56-1

    甲醇

  • +

  • 693-33-4

    氢氧化(羧甲基二甲基十六烷基铵)内盐

  • 112-82-3

    溴代十六烷

  • 693-33-4

    氢氧化(羧甲基二甲基十六烷基铵)内盐

  • 5466-51-3

    carboxymethyl-hexadecyl-dimethyl-ammonium,bromide

  • 693-33-4

    氢氧化(羧甲基二甲基十六烷基铵)内盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ML9110000
CHEMICAL NAME :
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner salt
CAS REGISTRY NUMBER :
693-33-4
BEILSTEIN REFERENCE NO. :
3676787
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C20-H41-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1620 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 16,41,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>16 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Skin and Appendages - dermatitis, other (after systemic exposure) Skin and Appendages - hair
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 16,41,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 16,41,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2947 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 162 (estimated)

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