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China
Product Name: 1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-
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1143-30-2

1143-30-2 structure

1143-30-2 structure

Name: 1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-
Chemical Name: 1-butyl-3,7-dimethylpurine-2,6-dione
CAS Number: 1143-30-2
Molecular Formula: C₁₁H₁₆N₄O₂
Molecular Weight: 236.27000
Create Date: 2016-10-29 07:09:45
Modify Date: 2025-09-18 18:13:41

Name	1-butyl-3,7-dimethylpurine-2,6-dione
Synonyms	1-butyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione 1-Butyltheobromine 1-butyl-3,7-dimethylxanthine 1-n-Butyl-3,7-dimethylxanthine 1-Butyl-3,7-dimethyl-3,7-dihydro-purin-2,6-dion 1-butyl-3,7-dimethyl-1H-purine-2,6-(2H,6H)-dione Theobromine,1-butyl

Density	1.29g/cm3
Boiling Point	434.5ºC at 760 mmHg
Molecular Formula	C₁₁H₁₆N₄O₂
Molecular Weight	236.27000
Flash Point	216.6ºC
Exact Mass	236.12700
PSA	61.82000
LogP	0.23380
Vapour Pressure	9.41E-08mmHg at 25°C
Index of Refraction	1.624

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2370000

CHEMICAL NAME :: Theobromine, 1-butyl-

CAS REGISTRY NUMBER :: 1143-30-2

BEILSTEIN REFERENCE NO. :: 0026680

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H16-N4-O2

MOLECULAR WEIGHT :: 236.31

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 H4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 167 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

HS Code	2933990090

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%

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