1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)

Modify Date: 2024-09-20 19:06:59

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI) structure	Common Name	1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)
	CAS Number	73747-39-4	Molecular Weight	234.25400
	Density	1.29g/cm3	Boiling Point	434.2ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₄N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	216.4ºC

Name	1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
Synonym	More Synonyms

Density	1.29g/cm3
Boiling Point	434.2ºC at 760 mmHg
Molecular Formula	C₁₁H₁₄N₄O₂
Molecular Weight	234.25400
Flash Point	216.4ºC
Exact Mass	234.11200
PSA	61.82000
LogP	0.00380
Index of Refraction	1.625

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6625000

CHEMICAL NAME :: Caffeine, 8-(prop-1-enyl)-

CAS REGISTRY NUMBER :: 73747-39-4

LAST UPDATED :: 197903

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-N4-O2

MOLECULAR WEIGHT :: 234.29

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 C1U2 F1 H1

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 :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06867

8-Prop-1-enylcaffeine