呋索碘铵

呋索碘铵 基本信息
CAS号 541-64-0 分子式 C8H14INO
分子量 267.10700 精确质量  267.01200
PSA  13.14000 LogP  -1.51020

基本信息 展开↓

CAS号:
541-64-0
3D弹球模型:
立即前往扯扯看
分子式:
C8H14INO
分子量:
267.10700
中文名称:
呋索碘铵
英文名称:
furan-2-ylmethyl(trimethyl)azanium,iodide
中文别名:
呋索碘铵;
呋索碘铵 呋喃胺 呋喃卓 碘化三甲康铵
英文别名:
furan-2-ylmethyl(trimethyl)azanium,iodide;
Furamon iodide;
Furtrimethonium iodide;
N,N,N-trimethyl-2-furanmethanaminium;
2-N,N-dimethylfurfurylamine methiodide;
Furfuryl-trimethyl-ammonium,Jodid;
Furfuryltrimethylammonium iodide;
Furamon;
trimethylfurfurylammonium iodide;
Furmethide;
Furthrethonium iodide;
Furmethide iodide;
furtrethonium iodide;
Furmithide iodide;
Furanol
精确分子量/精确质量:
267.01200
极性分子表面积/PSA:
13.14000
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:
208-789-5
InChI:
The Key: YKASHPSKFYVZRC-UHFFFAOYSA-M

安全信息展开↓

海关代码:
2932190090

合成路线查看所有的合成路线

  • 617-89-0

    2-呋喃甲胺

  • +

  • 74-88-4

    甲基碘

  • 541-64-0

    呋索碘铵

  • 617-89-0

    2-呋喃甲胺

  • 541-64-0

    呋索碘铵

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BQ6850000
CHEMICAL NAME :
Ammonium, furfuryltrimethyl-, iodide
CAS REGISTRY NUMBER :
541-64-0
LAST UPDATED :
199604
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H14-N-O.I
MOLECULAR WEIGHT :
267.13
WISWESSER LINE NOTATION :
T5OJ B1K1&1&1 &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - coma Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 68,231,1940
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Cardiac - change in rate Vascular - BP lowering not characterized in autonomic section
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 6,501,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 7,130,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9750 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - incontinence
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 37,184,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - nausea or vomiting
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 68,231,1940

海关数据查看详细

中国海关编码:2932190090

概述:
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 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
摘要/Summary:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:13.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:106

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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