959-14-8

959-14-8结构式

常用中文名：奥索拉明
常用英文名：oxolamine
CAS号：959-14-8
分子式：C₁₄H₁₉N₃O
分子量：245.320
发布时间：2018-06-05 08:00:00
更新时间：2024-01-06 18:01:49

中文名	奥沙拉明
英文名	Oxolamine
中文别名	奥索拉明 5-[2-(二乙基氨基)乙基]-3-苯基-1,2,4-噁二唑
英文别名	5-<2-Diaethylamino-aethyl>-3-phenyl-1.2.4-oxadiazol 683-m diethyl-[2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-ethyl]-amine 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-phenyl- 3-Phenyl-5-(b-diethylaminoethyl)-1,2,4-oxadiazole EINECS 213-493-4 AF-438 oxolamine 683 M 5-[2-(diethylamino)ethyl]-3-phenyl-1,2,4-oxadiazole 1,2,4-OXADIAZOLE,5-(2-DIETHYLAMINO)ETHYL)-3-PHENYL 3-Phenyl-5-<2-diaethylamino-aethyl>-1.2.4-oxadiazol N,N-Diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine oxalamine citrate MFCD00866857

密度	1.1±0.1 g/cm3
沸点	364.8±44.0 °C at 760 mmHg
分子式	C₁₄H₁₉N₃O
分子量	245.320
闪点	174.4±28.4 °C
精确质量	245.152817
PSA	42.16000
LogP	3.50
蒸汽压	0.0±0.8 mmHg at 25°C
折射率	1.531
计算化学	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

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

海关编码	2934999090

28917-17-1

109-89-7

~10%

959-14-8

文献：Burns, Alan R.; Kerr, Jennifer H.; Kerr, William J.; Passmore, Joanna; Paterson, Laura C.; Watson, Allan J. B. Organic and Biomolecular Chemistry, 2010 , vol. 8, # 12 p. 2777 - 2783

613-92-3

959-14-8

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 4, # 2 p. 351 - 367

10560-64-2

959-14-8

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 4, # 2 p. 351 - 367

10560-64-2

109-89-7

959-14-8

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 4, # 2 p. 351 - 367

53919-74-7

109-89-7

959-14-8

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 4, # 2 p. 351 - 367

上游产品 5
28917-17-1 109-89-7 613-92-3 10560-64-2
53919-74-7
下游产品 0

海关编码	2934999090
中文概述	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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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