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Etonitazepyne Structure

Etonitazepyne

Chemical Properties

Boiling point 608.6±50.0 °C(Predicted)
Density  1.27±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  Acetonitrile: 10 mg/ml DMF: 30 mg/ml DMSO: 1 mg/ml Ethanol: 5 mg/ml Methanol: 10 mg/ml
pka 9.90±0.20(Predicted)
form  A crystalline solid
λmax 242 nm
InChI InChI=1S/C22H26N4O3/c1-2-29-19-8-5-17(6-9-19)15-22-23-20-16-18(26(27)28)7-10-21(20)25(22)14-13-24-11-3-4-12-24/h5-10,16H,2-4,11-15H2,1H3
InChIKey LQZWZCJCEPUKCJ-UHFFFAOYSA-N
SMILES C1(CC2=CC=C(OCC)C=C2)N(CCN2CCCC2)C2=CC=C([N+]([O-])=O)C=C2N=1

Usage And Synthesis