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

Modify Date: 2025-09-18 18:13:41

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

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

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
InChIKey	ZCUPBJOZMPROIJ-UHFFFAOYSA-N
SMILES	CCCCn1c(=O)c2c(ncn2C)n(C)c1=O

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%

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

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Product Name: 1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-
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Purity: 98.0%
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1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.