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74039-69-3

74039-69-3 structure
74039-69-3 structure

Name 8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
Density 1.309g/cm3
Boiling Point 515.5ºC at 760 mmHg
Molecular Formula C14H18N4O2
Molecular Weight 274.31800
Flash Point 265.6ºC
Exact Mass 274.14300
PSA 72.68000
LogP 1.00320
Index of Refraction 1.617

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093340
CHEMICAL NAME :
Theophylline, 8-(1-cyclohexen-1-ylmethyl)-
CAS REGISTRY NUMBER :
74039-69-3
LAST UPDATED :
197906
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H18-N4-O2
MOLECULAR WEIGHT :
274.36
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C1- AL6UTJ& 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 :
5600 ug/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#06898