Theophylline, 8-cinnamyl

Names

[ CAS No. ]:
74039-67-1

[ Name ]:
Theophylline, 8-cinnamyl

Chemical & Physical Properties

[ Density]:
1.319g/cm3

[ Boiling Point ]:
579.3ºC at 760 mmHg

[ Molecular Formula ]:
C16H16N4O2

[ Molecular Weight ]:
296.32400

[ Flash Point ]:
304.2ºC

[ Exact Mass ]:
296.12700

[ PSA ]:
72.68000

[ LogP ]:
1.21620

[ Index of Refraction ]:
1.666

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093200
CHEMICAL NAME :
Theophylline, 8-cinnamyl-
CAS REGISTRY NUMBER :
74039-67-1
BEILSTEIN REFERENCE NO. :
0035201
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H16-N4-O2
MOLECULAR WEIGHT :
296.36
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C2U1R& 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 :
56 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#04469

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5,6-Diamino-1,3-Dimethyluracil

DownStream

Related Compounds

  • Theophylline, 8-butyl-, hydrochloride
  • theophylline, [8-3h]
  • Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)
  • Theophylline, 8-(decylthio)-
  • theophylline, [8-14c]
  • Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • 2-(Trifluoromethyl)oxan-4-ol
  • 4,5-Dihydro-2-methyl-3-(methylsulfonyl)cyclopenta[b]pyrrol-6(1H)-one
  • 1-Quinoxalin-2-yl-but-3-yn-1-ol
  • Methyl 5-acetamido-6-aminopyridine-2-carboxylate
  • Methyl 5-(acetylamino)-4-amino-2-pyridinecarboxylate
  • 2-Methyl-1-[(2,4,6-trimethylphenyl)sulfonyl]aziridine
  • 6-(2-methoxy-4-pyrazol-1-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
  • 2-Isopropylthiazole-4-carboximidamide
  • 5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboximidamide
  • N-(cycloheptylmethyl)hydroxylamine