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
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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synonyms

8-Prop-1-enylcaffeine
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Chemsrc provides CAS#:73747-39-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)>> amp version: 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)

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