1246560-33-7

Name VS-5584
CAS 1246560-33-7
Molecular Formula C17H22N8O
MDL Number MFCD25372027
Molecular Weight 354.41
MOL File 1246560-33-7.mol

Chemical Properties

Boiling point  687.2±65.0 °C(Predicted)
density  1.48±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  insoluble in H2O; ≥17.7 mg/mL in DMSO; ≥4.71 mg/mL in EtOH with ultrasonic
form  solid
pka 4.53±0.10(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)
InChIKey QYBGBLQCOOISAR-UHFFFAOYSA-N
SMILES C1(N)=NC=C(C2=C3C(=NC(N4CCOCC4)=N2)N(C(C)C)C(C)=N3)C=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H302-H410-H372
Precautionary statements  P260-P264-P273-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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