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N-desethyl Etonitazene Structure

N-desethyl Etonitazene

Chemical Properties

Boiling point 583.2±45.0 °C(Predicted)
Density  1.23±0.1 g/cm3(Predicted)
solubility  DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml
form  A crystalline solid
pka 9.84±0.19(Predicted)
InChI InChI=1S/C20H24N4O3/c1-3-21-11-12-23-19-10-7-16(24(25)26)14-18(19)22-20(23)13-15-5-8-17(9-6-15)27-4-2/h5-10,14,21H,3-4,11-13H2,1-2H3
InChIKey RESPFUMJVJRUMB-UHFFFAOYSA-N
SMILES C1(CC2=CC=C(OCC)C=C2)N(CCNCC)C2=CC=C([N+]([O-])=O)C=C2N=1

Usage And Synthesis