1,2,4-Oxadiazole-5-ethanamine,N,N-diethyl-3-phenyl-
- 中文别名：奥沙拉明; 胺乙噁唑; 5-[2-(二乙基氨基)乙基]-3-苯基-1,2,4-噁二唑
- 中文释义：奥沙拉明;5-[2-(二乙基氨基)乙基]-3-苯基-1,2,4-噁二唑;奥索拉明
- 英文别名：Oxolamine;
5-<2-Diaethylamino-aethyl>-3-phenyl-1.2.4-oxadiazol;
3-Phenyl-5-<2-diaethylamino-aethyl>-1.2.4-oxadiazol;
683 M;
AF-438;
diethyl-[2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-ethyl]-amine;
5-[2-(diethylamino)ethyl]-3-phenyl-1,2,4-oxadiazole;
1,2,4-OXADIAZOLE,5-(2-DIETHYLAMINO)ETHYL)-3-PHENYL;
oxalamine citrate
- CAS No.：959-14-8
- 分子式：
C14H19N3O
- 分子量：245.32
- 精确分子量：245.15300
- PSA：42.16000
- InChI：InChI=1/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
- 分子结构式：
物化性质
- 密度：
- 1.066 g/cm3
- 沸点：
- 364.818ºC at 760 mmHg
- 闪点：
- 174.436ºC
安全信息
- 密度：
- 1.066 g/cm3
- 沸点：
- 364.818ºC at 760 mmHg
- 闪点：
- 174.436ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RO0700000
- CHEMICAL NAME :
- 1,2,4-Oxadiazole, 5-(2-(diethylamino)ethyl)-3-phenyl-
- CAS REGISTRY NUMBER :
- 959-14-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C14-H19-N3-O
- MOLECULAR WEIGHT :
- 245.36
- WISWESSER LINE NOTATION :
- T5NO DNJ C2N2&2 ER
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 :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,115,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 679 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,115,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 208 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 3,89,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 672 mg/kg
- TOXIC EFFECTS :
- Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,411,1967 *** REVIEWS *** TOXICOLOGY REVIEW ADCSAJ Advances in Chemistry Series. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) No.1- 1950- Volume(issue)/page/year: 13,271,1970
海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 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:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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）:2.9
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:3
6.拓扑分子极性表面积:42.2
7.重原子数量:18
8.表面电荷:0
9.复杂度:227
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
