Chemical Properties of Amodiaquine (CAS 86-42-0)

InChI

InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)

InChI Key

OVCDSSHSILBFBN-UHFFFAOYSA-N

Formula

C20H22ClN3O

SMILES

CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

Molecular Weight¹

355.86

CAS

86-42-0

Other Names

• 4-((7-Chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)phenol
• 4-((7-Chloro-4-quinolyl)amino)-«alpha»-(diethylamino)-o-cresol
• 4-((7-Chloro-4-quinolyl)amino)-«alpha»-(diethylamino)-o-cresol
• 4-[(7-Chloro-4-quinolinyl)amino]-«alpha»-(diethylamino)-o-cresol
• 4-[(7-Chloro-4-quinolinyl)amino]-«alpha»-(diethylamino)-o-cresol
• 7-Chloro-4-(3-diethylaminomethyl-4-hydroxyanilino)quinoline
• 7-Chloro-4-(3-diethylaminomethyl-4-hydroxyphenylamino)quinoline
• Amodiaquin
• Amodiaquine, ring-closed
• CAM-AQ1
• CAM-AQI
• Camochin
• Camoquin
• Camoquinal
• Camoquine
• Flavoquine
• Miaquin
• NSC 13453
• Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-
• Quinoline, 7-chloro-4-((3-((diethylamino)methyl)-4-hydroxyphenyl)amino)-
• S. N. 10751
• SN 10,751
• o-Cresol, 4-((7-chloro-4-quinolyl)amino)-«alpha»-(diethylamino)-
• o-Cresol, 4-((7-chloro-4-quinolyl)amino)-«alpha»-(diethylamino)-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Amodiaquine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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