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Decoquinate Structure

Decoquinate

Chemical Properties

Melting point 241.0 to 245.0 °C
Boiling point 517.9±45.0 °C(Predicted)
Density  1.091±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
pka 2.60±0.50(Predicted)
form  Solid
color  Off-White to Pale Beige
Merck  14,2854
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
InChIKey JHAYEQICABJSTP-UHFFFAOYSA-N
SMILES N1C2C(=CC(OCCCCCCCCCC)=C(OCC)C=2)C(O)=C(C(OCC)=O)C=1
LogP 8.740 (est)
CAS DataBase Reference 18507-89-6(CAS DataBase Reference)
EPA Substance Registry System Decoquinate (18507-89-6)

Safety Information

Safety Statements  24/25
WGK Germany  3
RTECS  VB1983800
HS Code  29334900
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4

Usage And Synthesis

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