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BET-IN-4 Structure

BET-IN-4

Chemical Properties

Boiling point 529.0±50.0 °C(Predicted)
Density  1.232±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 10 mg/mL (26.64 mM; ultrasonic and warming and heat to 60°C)
pka 4.36±0.12(Predicted)
form  Solid
color  Off-white to light yellow
InChI InChI=1S/C22H21N3O3/c1-13-9-16-10-18(21-14(2)24-28-15(21)3)20(27-4)11-19(16)25(22(13)26)12-17-7-5-6-8-23-17/h5-11H,12H2,1-4H3
InChIKey YVGWSVHZXWFLIT-UHFFFAOYSA-N
SMILES N1(CC2=NC=CC=C2)C2=C(C=C(C3=C(C)ON=C3C)C(OC)=C2)C=C(C)C1=O

Usage And Synthesis

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