米吡氯铵

米吡氯铵 基本信息
CAS号 2748-88-1 分子式 C20H36ClN
分子量 325.96000 精确质量  325.25400
PSA  3.88000 LogP  2.98760

基本信息 展开↓

CAS号:
2748-88-1
3D弹球模型:
立即前往扯扯看
分子式:
C20H36ClN
分子量:
325.96000
中文名称:
米吡氯铵
英文名称:
Myristyl-γ-picolinium Chloride
中文别名:
米吡氯铵;
十四烷基吡啶铵
英文别名:
Myristyl-γ-picolinium Chloride;
4-methyl-1-tetradecylpyridin-1-ium,chloride;
4-Methyl-1-tetradecylpyridin-1-ium chloride
精确分子量/精确质量:
325.25400
极性分子表面积/PSA:
3.88000
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:
220-387-1
InChI:
InChI=1/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1

安全信息展开↓

海关代码:
2933399090

合成路线查看所有的合成路线

  • 133216-96-3

    133216-96-3

  • ~91%

  • 2748-88-1

    米吡氯铵

  • 80241-43-6

    pyridin-4-ylmethylphosphonic acid

  • 2748-88-1

    米吡氯铵

  • 19218-94-1

    1-碘十四烷

  • 2748-88-1

    米吡氯铵

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TJ7825000
CHEMICAL NAME :
4-Picolinium, 1-tetradecyl-, chloride
CAS REGISTRY NUMBER :
2748-88-1
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C20-H36-N.Cl
MOLECULAR WEIGHT :
326.02
WISWESSER LINE NOTATION :
T6KJ A14 D &G &3/13

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 :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 32,245,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7500 ug/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: 35,89,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Skin and Appendages - hair
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: 35,89,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis
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: 35,89,1946 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2400 mg/kg/60D-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: 35,89,1946 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9555 No. of Facilities: 1023 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 7502 (estimated) No. of Female Employees: 3667 (estimated)

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:13

5.互变异构体数量:无

6.拓扑分子极性表面积:3.9

7.重原子数量:22

8.表面电荷:0

9.复杂度:206

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

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  • 133216-96-3

    N/A

  • 19218-94-1

    1-碘十四烷

  • 80241-43-6

    pyridin-4-ylmethylphosphonic acid

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