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MKC3946 Structure

MKC3946

Chemical Properties

Boiling point 591.6±50.0 °C(Predicted)
Density  1.337±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility  DMSO:20.0(Max Conc. mg/mL);52.57(Max Conc. mM)
form  A crystalline solid
pka 8.18±0.50(Predicted)
color  White to yellow
InChI 1S/C21H20N2O3S/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
InChIKey IVQVBMWPWPTSNO-UHFFFAOYSA-N
SMILES [s]1c(ccc1C(=O)N4CCN(CC4)C)c2cc3c(c(c(cc3)O)C=O)cc2

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis