2-Oxiranecarboxamide,2-ethyl-3-propyl-
- 中文别名：奥沙那胺
- 中文释义：奥沙那胺
- 英文别名：oxane-2-carboxamide;
2-ethyl-2,3-epoxy-hexanoic acid amide;
Oxanamide;
Oxanamid;
2-Oxiranecarboxamide,2-ethyl-3-propyl;
2-Ethyl-3-propyl-2,3-epoxypropionamide;
2-Aethyl-2,3-epoxy-hexansaeure-amid;
Oxiranecarboxamide,2-ethyl-3-propyl-(9CI);
Quiactin;
2-Ethyl-3-propylglycidamide;
Hexanamide,2,3-epoxy-2-ethyl-(6CI,7CI,8CI);
2,3-Epoxy-2-ethylhexanamide
- CAS No.：126-93-2
- 分子式：
C8H15NO2
- 分子量：157.21
- 精确分子量：157.11000
- PSA：56.61000
- InChI：The Key: WBLPIVIXQOFTPQ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.028g/cm3
- 沸点：
- 292.2ºC at 760mmHg
- 闪点：
- 145.8ºC
- 折射率：
- 1.463
- 蒸汽压：
- 0.00186mmHg at 25°C
安全信息
- 密度：
- 1.028g/cm3
- 沸点：
- 292.2ºC at 760mmHg
- 闪点：
- 145.8ºC
- 折射率：
- 1.463
- 蒸汽压：
- 0.00186mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MN8050000
- CHEMICAL NAME :
- Hexanamide, 2,3-epoxy-2-ethyl-
- CAS REGISTRY NUMBER :
- 126-93-2
- BEILSTEIN REFERENCE NO. :
- 0119679
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-H15-N-O2
- MOLECULAR WEIGHT :
- 157.24
- WISWESSER LINE NOTATION :
- T3OTJ BVZ B2 C3
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 :
- 1250 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 7,262,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1220 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity)
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 103,101,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 605 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 134,60,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >360 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 96,209,1949
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
分子结构数据
1、 摩尔折射率：42.12
2、 摩尔体积（cm3/mol）：152.7
3、 等张比容（90.2K）：370.3
4、 表面张力（dyne/cm）：34.5
5、 极化率（10-24cm3）：16.70
计算化学数据
1.疏水参数计算参考值（XlogP）:-0.1
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:1
5.互变异构体数量:3
6.拓扑分子极性表面积52.3
7.重原子数量:9
8.表面电荷:0
9.复杂度:114
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
