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SKL 2001 Structure

SKL 2001

Chemical Properties

Boiling point 595.7±50.0 °C(Predicted)
Density  1.37±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 25 mg/ml; DMSO: 25 mg/ml; Ethanol: 25 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
form  A crystalline solid
pka 13.36±0.46(Predicted)
color  White to off-white
InChI InChI=1S/C14H14N4O3/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-13(21-17-11)12-3-1-8-20-12/h1,3,5,7-10H,2,4,6H2,(H,16,19)
InChIKey PQXINDBPUDNMPE-UHFFFAOYSA-N
SMILES O1C(C2=CC=CO2)=CC(C(NCCCN2C=NC=C2)=O)=N1

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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