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73747-39-4

73747-39-4 structure
73747-39-4 structure

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