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73747-39-4

73747-39-4结构式
73747-39-4结构式

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英文名 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
英文别名 8-Prop-1-enylcaffeine
密度 1.29g/cm3
沸点 434.2ºC at 760 mmHg
分子式 C11H14N4O2
分子量 234.25400
闪点 216.4ºC
精确质量 234.11200
PSA 61.82000
LogP 0.00380
折射率 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