Theophylline, 8-cinnamyl

Modify Date: 2025-09-25 11:52:23

Theophylline, 8-cinnamyl Structure
Theophylline, 8-cinnamyl structure
 Common Name Theophylline, 8-cinnamyl
CAS Number 74039-67-1 Molecular Weight 296.32400
Density 1.319g/cm3 Boiling Point 579.3ºC at 760 mmHg
Molecular Formula C16H16N4O2 Melting Point N/A
MSDS N/A Flash Point 304.2ºC

 Names

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
InChIKey GJSSSUBMGXKITK-RMKNXTFCSA-N
SMILES Cn1c(=O)c2[nH]c(CC=Cc3ccccc3)nc2n(C)c1=O

 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

5,6-Diamino-1,3-Dimethyluracil structure

5,6-Diamino-1,3...

CAS#:5440-00-6

~%

Theophylline, 8-cinnamyl Structure

Theophylline, 8...

CAS#:74039-67-1

Literature: Hager et al. Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 152,154

 Precursor & DownStream

Precursor  1

DownStream  0

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