1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-

Modify Date: 2025-10-04 21:23:16

1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)- structure	Common Name	1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-
	CAS Number	63906-62-7	Molecular Weight	234.25400
	Density	1.29g/cm3	Boiling Point	437.9ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₄N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	218.7ºC

Name	3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione

Density	1.29g/cm3
Boiling Point	437.9ºC at 760 mmHg
Molecular Formula	C₁₁H₁₄N₄O₂
Molecular Weight	234.25400
Flash Point	218.7ºC
Exact Mass	234.11200
PSA	61.82000
LogP	0.00980
Index of Refraction	1.625
InChIKey	DMWQAGFXWKNDBE-UHFFFAOYSA-N
SMILES	C=C(C)Cn1c(=O)c2c(ncn2C)n(C)c1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2470000

CHEMICAL NAME :: Theobromine, 1-(2'-methylallyl)-

CAS REGISTRY NUMBER :: 63906-62-7

LAST UPDATED :: 199009

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-N4-O2

MOLECULAR WEIGHT :: 234.29

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 H1UY1&1

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 :: 254 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,113,1946

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.