Clemizole , ≥98% , 442-52-4

CAS NO.：442-52-4

Empirical Formula: C19H20ClN3

Molecular Weight: 325.84

MDL number: MFCD00051434

EINECS: 207-133-5

PRODUCT Properties

• Melting point: 239-241℃
• Boiling point: 506.1±40.0 °C(Predicted)
• Density: 1.25±0.1 g/cm3(Predicted)
• storage temp.: Store at -20°C
• solubility: insoluble in H2O; ≥16.2 mg/mL in DMSO; ≥95.8 mg/mL in EtOH
• form: solid
• pka: 9.08±0.20(Predicted)
• color: White to off-white
• InChI: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
• InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N
• SMILES: C1(CN2CCCC2)N(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2N=1