Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
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Purity: 98.0%
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5770-30-9

5770-30-9 structure

5770-30-9 structure

Name: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
Chemical Name: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
CAS Number: 5770-30-9
Molecular Formula: C₁₁H₁₆N₄O₂
Molecular Weight: 236.27000
Create Date: 2017-08-27 19:11:52
Modify Date: 2024-01-03 16:40:36

Name	1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
Synonyms	8-Isobutyl theophylline 8-Isobutyltheophyllin 8-Isobutyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion Xanthine,1,3-dimethyl-8-isobutyl 8-isobutyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione 8-isobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione Theophylline,8-isobutyl

Density	1.249g/cm3
Boiling Point	460.6ºC at 760 mmHg
Molecular Formula	C₁₁H₁₆N₄O₂
Molecular Weight	236.27000
Flash Point	232.4ºC
Exact Mass	236.12700
PSA	72.68000
LogP	0.15880
Index of Refraction	1.568

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5910000

CHEMICAL NAME :: Theophylline, 8-isobutyl-

CAS REGISTRY NUMBER :: 5770-30-9

BEILSTEIN REFERENCE NO. :: 0235781

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H16-N4-O2

MOLECULAR WEIGHT :: 236.31

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C1Y1&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 :: 250 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

503-74-2 structure

503-74-2

5440-00-6 structure

5440-00-6

~%

5770-30-9 structure

5770-30-9

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

Precursor 2
503-74-2 5440-00-6
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