Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)-
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Purity: 98.0%
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2850-40-0

2850-40-0 structure

2850-40-0 structure

Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)-
Chemical Name: 1,3-dimethyl-8-propan-2-yl-7H-purine-2,6-dione
CAS Number: 2850-40-0
Molecular Formula: C₁₀H₁₄N₄O₂
Molecular Weight: 222.24400
Create Date: 2016-06-13 17:32:17
Modify Date: 2024-09-15 13:24:28

Name	1,3-dimethyl-8-propan-2-yl-7H-purine-2,6-dione
Synonyms	8-isopropyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione 1,3-dimethyl-8-isopropylxanthine 8-isopropyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione 8-isopropyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 8-Isopropyl theophylline 1,3-Dimethyl-8-isopropyl-xanthin Theophylline,8-isopropyl 8-Isopropyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion Xanthine,1,3-dimethyl-8-isopropyl

Density	1.284g/cm3
Boiling Point	447.6ºC at 760 mmHg
Molecular Formula	C₁₀H₁₄N₄O₂
Molecular Weight	222.24400
Flash Point	224.5ºC
Exact Mass	222.11200
PSA	72.68000
LogP	0.08370
Vapour Pressure	3.33E-08mmHg at 25°C
Index of Refraction	1.577

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5920000

CHEMICAL NAME :: Theophylline, 8-isopropyl-

CAS REGISTRY NUMBER :: 2850-40-0

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H14-N4-O2

MOLECULAR WEIGHT :: 222.28

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ CY1&1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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: 14,1202,1971

HS Code	2933990090

5440-00-6 structure

5440-00-6

79-31-2 structure

79-31-2

~%

2850-40-0 structure

2850-40-0

Literature: Speer; Raymond Journal of the American Chemical Society, 1953 , vol. 75, p. 114

Precursor 2
5440-00-6 79-31-2
DownStream 0

HS Code	2933990090
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%