1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-

Modify Date: 2024-02-03 18:09:54

1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl- Structure
1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl- structure
Common Name 1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-
CAS Number 1143-30-2 Molecular Weight 236.27000
Density 1.29g/cm3 Boiling Point 434.5ºC at 760 mmHg
Molecular Formula C11H16N4O2 Melting Point N/A
MSDS N/A Flash Point 216.6ºC

 Names

Name 1-butyl-3,7-dimethylpurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2933990090

 Customs

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%

 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