1448440-52-5

Name (S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide
CAS 1448440-52-5
Molecular Formula C17H14F2N4O2
MDL Number MFCD29477499
Molecular Weight 344.32
MOL File 1448440-52-5.mol

Chemical Properties

Melting point  >70°C (Decomposed)
Boiling point  676.4±55.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Solid
pka 12.43±0.46(Predicted)
color  Off-White to Pale Yellow
Stability: Hygroscopic
InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
InChIKey PUOOCZVRHBHJRS-NSHDSACASA-N
SMILES N1C2C(=CC=CC=2)C(C(NCC(N2CC(F)(F)C[C@H]2C#N)=O)=O)=CC=1

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