Chemical Properties of Quinidine (CAS 56-54-2)

InChI

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m1/s1

InChI Key

LOUPRKONTZGTKE-WGFDLZGGSA-N

Formula

C20H24N2O2

SMILES

C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12

Molecular Weight¹

324.42

CAS

56-54-2

Other Names

• (+)-Quindine
• (+)-Quinidine
• (8R,9S)-6'-Methoxycinchonan-9-ol
• (8R,9S)-Quinidine
• (9S)-6'-Methoxycinchonan-9-ol
• 2-Quinuclidinemethanol, «alpha»-(6-methoxy-4-quinolyl)-5-vinyl-
• 2-Quinuclidinemethanol, «alpha»-(6-methoxy-4-quinolyl)-5-vinyl-
• 6'-Methoxycinchonan-9-ol, (8R,9S)-
• 6-Methoxy-«alpha»-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol
• 6-Methoxy-«alpha»-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol
• Chinidin
• Cin-quin
• Cinchonan-9-ol, 6'-methoxy-, (9S)-
• Conchinin
• Conchinine
• Conquinine
• Kinidin
• NCI-C56246
• Pitayin
• Pitayine
• Quindine
• Quinine
• «alpha»-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol
• «beta»-Quinidine
• «beta»-Quinine
• «alpha»-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol
• «beta»-Quinidine
• «beta»-Quinine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.7614		Relay (... Calculated Property
ΔcH°solid	[-11145.00; -11140.00]	kJ/mol
ΔcH°solid	-11145.00	kJ/mol	NIST
ΔcH°solid	-11140.00	kJ/mol	NIST
ΔfG°	235.64	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-67.60	kJ/mol	Relay (... Calculated Property
ΔvapH°	133.51	kJ/mol	Relay (... Calculated Property
IE	7.78	eV	Relay (... Calculated Property
log10WS	-2.77		Aq. Sol...
logPoct/wat	3.173		Crippen Calculated Property
McVol	255.120	ml/mol	McGowan Calculated Property
Pc	1622.02	kPa	Relay (... Calculated Property ⚠️
Inp	[2745.00; 2815.00]
Inp	2805.00		NIST
Inp	2807.00		NIST
Inp	2797.00		NIST
Inp	Outlier 2745.00		NIST
Inp	2795.00		NIST
Inp	2798.00		NIST
Inp	Outlier 2750.00		NIST
Inp	2815.00		NIST
Inp	2794.00		NIST
Inp	2794.00		NIST
Inp	2807.00		NIST
Inp	2784.00		NIST
Inp	2807.00		NIST
Tboil	719.07	K	Relay (... Calculated Property
Tc	1020.30	K	Relay (... Calculated Property
Tfus	445.98	K	Aq. Sol...
Vc	0.899	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Quinidine.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.