炔丙环己酯
- 中文名称：
- 炔丙环己酯
- 中文别名：
- 炔丙环己酯;
丙炔蚁胺
- 英文名称：
- Cyclohexanol,1-(2-propyn-1-yl)-, 1-carbamate
- 英文别名：
- (1-prop-2-ynylcyclohexyl) carbamate;
Hexapropymate;
Modirax;
LF 62;
Propynylcyclohexanol carbamate;
Hexopropynate;
Lunamin;
Merinax;
Esapropimato
- CAS No.：
- 358-52-1
- 分 子 式：
-
C10H15NO2
- 分 子 量：
- 181.23
- 精确分子量：
- 181.11000
- PSA：
- 52.32000
- EINECS：
- 206-618-9
- InChI：
- The Key: MIRHIEAGDGUXKL-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
炔丙环己酯 物化性质
- 密度：
- 1.08g/cm3
- 沸点：
- 304.6ºC at 760mmHg
- 闪点：
- 138.5ºC
- 折射率：
- 1.503
炔丙环己酯 毒理性
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
炔丙环己酯 海关数据
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%
炔丙环己酯 分子结构与计算化学数据
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
