瓦尔米
- 中文名称：
- 瓦尔米
- 中文别名：
- 瓦尔米;
凡眠特
- 英文名称：
- Cyclohexanol,1-ethynyl-, 1-carbamate
- 英文别名：
- ethinamate;
<1-Ethinyl-cyclohexyl>-carbamat;
Valamin;
(1-ethynylcyclohexyl) carbamate;
Valamin,<1-Ethinyl-cyclohexyl>-carbamat;
Carbamidsaeure-(1-aethinyl-cyclohexylester);
Valmid;
Valaminetten;
Valmidate;
Valaminettae;
Carbaminsaeure-<1-ethinyl-cyclohexylester>;
Etinamate;
Ethinamat;
Volamin;
1-Ethynylcyclohexyl carbamate;
carbamic acid-(1-ethynyl-cyclohexyl ester)
- CAS No.：
- 126-52-3
- 分 子 式：
-
C9H13NO2
- 分 子 量：
- 167.23
- 精确分子量：
- 167.09500
- PSA：
- 52.32000
- MDL：
- MFCD00063343
- EINECS：
- 204-789-4
- InChI：
- The Key: GXRZIMHKGDIBEW-UHFFFAOYSA-N3
- 危险品标志：
- 风险术语：
- 23/24/25
- 安全术语：
- A deadly human poison. Experimental poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
- 分子结构式：
-
- SDS：
- 查看
瓦尔米 物化性质
- 密度：
- 1.1g/cm3
- 沸点：
- 282ºC at 760mmHg
- 闪点：
- 131ºC
- 折射率：
- 1.506
- 蒸汽压：
- 0.00345mmHg at 25°C
瓦尔米 安全信息
- 危险类别码：
- 23/24/25
- RTECS号：
- GV9275000
- 安全标志：
- S22:不要吸入粉尘。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
- 危险标志：
- T: Toxic;
瓦尔米 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GV9275000
- CHEMICAL NAME :
- Cyclohexanol, 1-ethynyl-, carbamate
- CAS REGISTRY NUMBER :
- 126-52-3
- BEILSTEIN REFERENCE NO. :
- 1946056
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C9-H13-N-O2
- MOLECULAR WEIGHT :
- 167.23
- WISWESSER LINE NOTATION :
- L6TJ AOVZ A1UU1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 57 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 7,513,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 331 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - somnolence (general depressed activity)
- 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: 45,40,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 390 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 157 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - somnolence (general depressed activity)
- 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: 45,40,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 490 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- 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: 45,40,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: AD277-689
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 108 mg/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: 45,40,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 190 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,111,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 144 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - somnolence (general depressed activity)
- 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: 45,40,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1 gm/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 :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of
National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa,
Ont., Canada)
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 7,513,1960
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 400 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- CAJPBD Proceedings of the Congenital Anomalies Research Association of
Japan. (Kyoto, Japan) No.1- 1961- Volume(issue)/page/year: 3,2,1963
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - A1135
No. of Facilities: 33 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 297 (estimated)
瓦尔米 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：44.96
2、 摩尔体积（cm3/mol）：151.3
3、 等张比容（90.2K）：391.8
4、 表面张力（dyne/cm）：44.9
5、 极化率（10-24cm3）：17.82
计算化学数据
1.疏水参数计算参考值（XlogP）:1.3
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:12
8.表面电荷:0
9.复杂度:220
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
