57000-13-2

• 常用中文名：1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
• 常用英文名：1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
• CAS号：57000-13-2
• 分子式：C₁₄H₁₅N₅O₂
• 分子量：285.30100
• 发布时间：2017-07-20 20:30:05
• 更新时间：2025-10-09 18:50:00

名称

• 英文名: 8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione
• 英文别名: 8-<(phenylmethyl)amino>theophylline; 8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-Benzylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion; 8-benzylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione; 8-(Benzylamino)theophylline; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino); Theophylline,8-benzylamino; 8-benzylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione

物化性质

• 密度: 1.404g/cm3
• 沸点: 539.3ºC at 760mmHg
• 分子式: C₁₄H₁₅N₅O₂
• 分子量: 285.30100
• 闪点: 280ºC
• 精确质量: 285.12300
• PSA: 84.71000
• LogP: 0.64540
• 折射率: 1.685

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UO8427950 CHEMICAL NAME : 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)- CAS REGISTRY NUMBER : 57000-13-2 BEILSTEIN REFERENCE NO. : 0309350 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C14-H15-N5-O2 MOLECULAR WEIGHT : 285.34 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 33,203,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1340 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 27,305,1975

合成路线

100-46-9 ~86% 57000-13-2

文献：Blythin; Kaminski; Domalski; Spitler; Solomon; Conn; Wong; Verbiar; Bober; Chiu Journal of Medicinal Chemistry, 1986 , vol. 29, # 6 p. 1099 - 1113

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