2079896-25-4

Name GSK4027
CAS 2079896-25-4
Molecular Formula C17H21BrN4O
MDL Number MFCD31692324
Molecular Weight 377.28
MOL File 2079896-25-4.mol
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Chemical Properties

Boiling point  450.3±55.0 °C(Predicted)
density  1.45±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:50.0(Max Conc. mg/mL);132.53(Max Conc. mM)
form  A crystalline solid
pka 9.58±0.10(Predicted)
color  Light yellow to yellow
InChI 1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKey VZAFGXCWAWRULT-UONOGXRCSA-N
SMILES CN(C[C@H](C1)C2=CC=CC=C2)C[C@@H]1NC(C=NN(C3=O)C)=C3Br

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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