81385-77-5

Name 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazolin-2-yl)nicotinic acid
CAS 81385-77-5
Molecular Formula C15H19N3O3
MDL Number MFCD00274561
Molecular Weight 289.33
MOL File 81385-77-5.mol
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Chemical Properties

Melting point  188-189℃
Boiling point  612.9±55.0 °C(Predicted)
density  1.206
storage temp.  Refrigerator, under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 2.1, 3.9(at 25℃)
color  White to Off-White
InChI InChI=1S/C32H24O3S/c1-33-25-17-13-22(14-18-25)28-30-32(36-31(28)24-15-19-26(34-2)20-16-24)27(21-9-5-3-6-10-21)29(35-30)23-11-7-4-8-12-23/h3-20H,1-2H3
InChIKey LBJMFIDRSJIPEE-UHFFFAOYSA-N
SMILES O1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)C2SC(C3=CC=C(OC)C=C3)=C(C3=CC=C(OC)C=C3)C1=2

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