奥芬氨酯

奥芬氨酯 基本信息
CAS号 50-19-1 分子式 C11H15NO3
分子量 209.24200 精确质量  209.10500
PSA  72.55000 LogP  2.07980

基本信息 展开↓

CAS号:
50-19-1
3D弹球模型:
立即前往扯扯看
分子式:
C11H15NO3
分子量:
209.24200
中文名称:
奥芬氨酯
英文名称:
(2-hydroxy-2-phenylbutyl) carbamate
中文别名:
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
精确分子量/精确质量:
209.10500
极性分子表面积/PSA:
72.55000
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:
200-017-5
InChI:
The Key: WAFIYOULDIWAKR-UHFFFAOYSA-N

物化性质展开↓

密度:
1.18g/cm3
沸点:
415.4ºC at 760 mmHg
闪点:
205.1ºC
折射率:
1.545

安全信息展开↓

海关代码:
2924299090

毒理性展开↓

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):1.1

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

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