519178-28-0

Name N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-1H-Purine-2,6-diamine
CAS 519178-28-0
EINECS(EC#) 247-759-6
Molecular Formula C20H16F3N7O2
MDL Number MFCD16875436
Molecular Weight 443.38
MOL File 519178-28-0.mol
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Chemical Properties

Boiling point  723.4±70.0 °C(Predicted)
density  1.543±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: ≥10mg/mL
form  Yellow solid
pka 10.51±0.10(Predicted)
color  yellow
InChI 1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)
InChIKey DDSBPUYZPWNNGH-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc4[nH]cnc24)cc1

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids

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