2226735-55-1

Name GSK547
CAS 2226735-55-1
Molecular Formula C20H18F2N6O
MDL Number MFCD32062767
Molecular Weight 396.39
MOL File 2226735-55-1.mol
show more

Chemical Properties

Boiling point  578.3±60.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:65.0(Max Conc. mg/mL);163.98(Max Conc. mM)
form  Solid
pka 1.93±0.28(Predicted)
color  White to off-white
InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1
InChIKey SJVGFKBLUYAEOK-SFHVURJKSA-N
SMILES C1=NC(N2CCC(C(N3[C@H](C4=CC(F)=CC(F)=C4)CC=N3)=O)CC2)=CC(C#N)=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information