1,2-Butanediol,2-phenyl-, 1-carbamate
- 中文别名：奥芬氨酯
- 中文释义：奥芬氨酯
- 英文别名：(2-hydroxy-2-phenylbutyl) carbamate;
2-Hydroxy-2-phenylbutyl-carbamat;
Phenylbutamate;
Hydroxyphenamate;
Listica;
Oxifenamatum;
oxyfenamate;
Hidroxifenamato;
Tensifen;
AL-0361;
Oxyphenamate;
Oxifenamate;
Hydroxyphenamat
- CAS No.：50-19-1
- 分子式：
C11H15NO3
- 分子量：209.24
- 精确分子量：209.10500
- PSA：72.55000
- InChI：The Key: WAFIYOULDIWAKR-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.18g/cm3
- 沸点：
- 415.4ºC at 760 mmHg
- 闪点：
- 205.1ºC
- 折射率：
- 1.545
安全信息
- 密度：
- 1.18g/cm3
- 沸点：
- 415.4ºC at 760 mmHg
- 闪点：
- 205.1ºC
- 折射率：
- 1.545
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EK2450000
- CHEMICAL NAME :
- 1,2-Butanediol, 2-phenyl-, 1-carbamate
- CAS REGISTRY NUMBER :
- 50-19-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H15-N-O3
- MOLECULAR WEIGHT :
- 209.27
- WISWESSER LINE NOTATION :
- ZVO1XQ2&R
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 :
- 607 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: -,394,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 830 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DNSSAW Diseases of the Nervous System, Supplement. (Irvington, NJ) For publisher information, see DNSYAG. Volume(issue)/page/year: 22,9,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 425 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DNSSAW Diseases of the Nervous System, Supplement. (Irvington, NJ) For publisher information, see DNSYAG. Volume(issue)/page/year: 22,9,1961 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 233 gm/kg/52W-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Related to Chronic Data - death
- REFERENCE :
- DNSSAW Diseases of the Nervous System, Supplement. (Irvington, NJ) For publisher information, see DNSYAG. Volume(issue)/page/year: 22,9,1961
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%
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）:1.1
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:5
5.互变异构体数量:2
6.拓扑分子极性表面积:72.6
7.重原子数量:15
8.表面电荷:0
9.复杂度:214
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:1
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
