63906-63-8

• 常用中文名：1-Propyl theobromine
• 常用英文名：1-Propyl theobromine
• CAS号：63906-63-8
• 分子式：C₁₀H₁₄N₄O₂
• 分子量：222.24400
• 发布时间：2016-07-18 21:51:47
• 更新时间：2024-01-10 16:27:25

名称

• 英文名: 3,7-dimethyl-1-propylpurine-2,6-dione
• 英文别名: Theobromine,n-propyl derivative; 1-n-Propyl-3,7-dimethylxanthine; 3,7-dimethyl-1-propyl-3,7-dihydro-1h-purine-2,6-dione; 1-Propyl theobromine; Theobromine,1-propyl

物化性质

• 密度: 1.34g/cm3
• 沸点: 427ºC at 760mmHg
• 分子式: C₁₀H₁₄N₄O₂
• 分子量: 222.24400
• 闪点: 212ºC
• 精确质量: 222.11200
• PSA: 61.82000
• 折射率: 1.638

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH2480000 CHEMICAL NAME : Theobromine, 1-propyl- CAS REGISTRY NUMBER : 63906-63-8 BEILSTEIN REFERENCE NO. : 0023217 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C10-H14-N4-O2 MOLECULAR WEIGHT : 222.28 WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H3 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human DOSE/DURATION : 26 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Gastrointestinal - nausea or vomiting Skin and Appendages - sweating TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 126 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold MUTATION DATA TYPE OF TEST : DNA inhibition TEST SYSTEM : Human Cells - not otherwise specified DOSE/DURATION : 4 mmol/L REFERENCE : BIOJAU Biophysical Journal. (Rockefeller Univ. Press, 1230 York Ave., New York, NY 10021) V.1- 1960- Volume(issue)/page/year: 35,665,1981

安全

• 海关编码: 2933990090

合成路线

2530-99-6 ~85% 63906-63-8

文献：Daly, J. W.; Padgett, W. L.; Shamim, M. T. Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1305 - 1308

83-67-0 ~93% 63906-63-8

文献：Larsen, Aaron T.; May, Erin M.; Auclair, Karine Journal of the American Chemical Society, 2011 , vol. 133, # 20 p. 7853 - 7858

83-67-0 106-94-5 ~% 63906-63-8

文献：Madyastha; Sridhar Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 6 p. 677 - 680

83-67-0 107-08-4 ~% 63906-63-8

文献：van der Slooten Archiv der Pharmazie (Weinheim, Germany), 1897 , vol. 235, p. 471 Recueil des Travaux Chimiques des Pays-Bas, 1896 , vol. 15, p. 188 Chem. Zentralbl., 1897 , vol. 68, # I p. 284

19143-61-4 ~% 63906-63-8

文献：Kowalska, Alicja; Maslankiewicz, Andrzej; Syrek, Barbara; Cieplinski, Piotr Monatshefte fuer Chemie, 1985 , vol. 116, p. 341 - 352

107-08-4 ~% 63906-63-8

文献：Biltz; Max Justus Liebigs Annalen der Chemie, 1921 , vol. 423, p. 320 Full Text Show Details Biilmann; ter Braak Recueil des Travaux Chimiques des Pays-Bas, 1929 , vol. 48, p. 919,920

上下游产品

上游产品  5
2530-99-6 83-67-0 106-94-5 107-08-4
19143-61-4
下游产品  0

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%