68054-78-4

Name 2,5-Cyclohexadiene-1,4-dione, 2-(cyclohexylamino)-5-(phenylamino)-
CAS 68054-78-4
Molecular Formula C18H20N2O2
Molecular Weight 296.36
MOL File 68054-78-4.mol

Chemical Properties

Melting point  234 °C(Solv: ethanol (64-17-5))
Boiling point  471.7±45.0 °C(Predicted)
density  1.20±0.1 g/cm3(Predicted)
solubility  Acetonitrile: Slightly soluble: 0.1-1 mg/ml
pka 0.61±0.20(Predicted)
InChI InChI=1S/C18H20N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14,19-20H,2,5-6,9-10H2
InChIKey UBQBKNFAICQJRN-UHFFFAOYSA-N
SMILES C1(=O)C=C(NC2=CC=CC=C2)C(=O)C=C1NC1CCCCC1

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