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2-Amino-8-bromo-9-isopentyl-5H-purin-6(9H)-one Structure

2-Amino-8-bromo-9-isopentyl-5H-purin-6(9H)-one

Chemical Properties

Boiling point 493.272±55.00 °C(Press: 760.00 Torr)(predicted)
Density  1.804±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
form  solid
pka 1.537±0.20(predicted)
InChI 1S/C10H14BrN5O/c1-5(2)3-4-16-7-6(13-9(16)11)8(17)15-10(12)14-7/h5H,3-4H2,1-2H3,(H3,12,14,15,17)
InChIKey LCAOBEWAVYTFJM-UHFFFAOYSA-N
SMILES BrC1=NC2=C(O)N=C(N)N=C2N1CCC(C)C

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2

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