炔丙环己酯

炔丙环己酯 基本信息
CAS号 358-52-1 分子式 C10H15NO2
分子量 181.23200 精确质量  181.11000
PSA  52.32000 LogP  2.50820

基本信息 展开↓

CAS号:
358-52-1
3D弹球模型:
立即前往扯扯看
分子式:
C10H15NO2
分子量:
181.23200
中文名称:
炔丙环己酯
英文名称:
(1-prop-2-ynylcyclohexyl) carbamate
中文别名:
炔丙环己酯;
丙炔蚁胺
英文别名:
(1-prop-2-ynylcyclohexyl) carbamate;
Hexapropymate;
Modirax;
LF 62;
Propynylcyclohexanol carbamate;
Hexopropynate;
Lunamin;
Merinax;
Esapropimato
精确分子量/精确质量:
181.11000
极性分子表面积/PSA:
52.32000
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:
206-618-9
InChI:
The Key: MIRHIEAGDGUXKL-UHFFFAOYSA-N

物化性质展开↓

密度:
1.08g/cm3
沸点:
304.6ºC at 760mmHg
闪点:
138.5ºC
折射率:
1.503

安全信息展开↓

海关代码:
2924299090

合成路线查看所有的合成路线

  • 75-44-5

    光气

  • +

  • 19135-08-1

    1-(2-炔丙基<丙炔基>)环己烷-1-醇

  • 358-52-1

    炔丙环己酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FD1150000
CHEMICAL NAME :
Carbamic acid, 1-(2-propynyl)cyclohexyl ester
CAS REGISTRY NUMBER :
358-52-1
BEILSTEIN REFERENCE NO. :
3253991
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H15-N-O2
MOLECULAR WEIGHT :
181.26
WISWESSER LINE NOTATION :
L6TJ AOVZ A2UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - coma Lungs, Thorax, or Respiration - cyanosis Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
REFERENCE :
MTAEEB Medical Toxicology and Adverse Drug Experience. (Adis International Ltd., Private Baq 65901, Mairangi Bay, Auckland 10, N.Z.) V.4- 1989- Volume(issue)/page/year: 4,295,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
228 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Vascular - BP lowering not characterized in autonomic section Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 1,1593,1978
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
286 mg/kg/36H-I
TOXIC EFFECTS :
Behavioral - coma Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
MTAEEB Medical Toxicology and Adverse Drug Experience. (Adis International Ltd., Private Baq 65901, Mairangi Bay, Auckland 10, N.Z.) V.4- 1989- Volume(issue)/page/year: 4,295,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,414,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,414,1972

海关数据查看详细

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . 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):1.7

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积:52.3

7.重原子数量:13

8.表面电荷:0

9.复杂度:233

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:1

上下游相关产品

上游产品

更多
  • 75-44-5

    光气

  • 19135-08-1

    1-(2-炔丙基<丙炔基>)环己烷-1-醇

下游产品

更多
  • 19135-08-1

    1-(2-炔丙基<丙炔基>)环己烷-1-醇

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便