Chemical Properties of Meclizine (CAS 569-65-3)

InChI

InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3

InChI Key

OCJYIGYOJCODJL-UHFFFAOYSA-N

Formula

C25H27ClN2

SMILES

Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1

Molecular Weight¹

390.95

CAS

569-65-3

Other Names

• (.+/-.)-Meclizine
• 1-(p-Chloro-«alpha»-phenylbenzyl)-4-(m-methylbenzyl)piperazine
• 1-(p-Chloro-«alpha»-phenylbenzyl)-4-(m-methylbenzyl)piperazine
• 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine
• 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)piperazine
• 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
• Ancolan
• Ancolon
• Antivert
• Bonadettes
• Bonine
• Calmonal
• Chiclida
• Histamethine
• Histamethizine
• Histametizine
• Histametizyne
• Itinerol
• Marex
• Meclozine
• Monamine
• NSC 169189
• Navicalm
• Neo-Istafene
• Parachloramine
• Peremesin
• Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-
• Piperazine, 1-(p-chloro-«alpha»-phenylbenzyl)-4-(m-methylbenzyl)-
• Piperazine, 1-(p-chloro-«alpha»-phenylbenzyl)-4-(m-methylbenzyl)-
• Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-
• Postafen
• Postafene
• Ravelon
• Sabari
• Sea-Legs
• Siguran
• Suprimal
• Travelon
• U. C. B. 5062
• UCB 5052
• UCB 5062
• Vibazine
• Vomisseis
• Vomissels
• neo-Suprimal
• neo-Suprimel

• 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).
• 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	0.6557		Relay (1.0) Calculated Property
ΔfG°	510.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	287.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	130.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Aq. Solubility Prediction
logPoct/wat	5.556		Crippen Calculated Property
McVol	313.170	ml/mol	McGowan Calculated Property
Pc	1436.23	kPa	Relay (1.0-beta) Calculated Property
Inp	[3000.00; 3050.00]
Inp	3040.00		NIST
Inp	3034.00		NIST
Inp	3030.00		NIST
Inp	3050.00		NIST
Inp	3030.00		NIST
Inp	3030.00		NIST
Inp	Outlier 3000.00		NIST
Inp	3040.00		NIST
Inp	3040.00		NIST
Inp	3035.00		NIST
Inp	3033.00		NIST
Inp	3050.00		NIST
Inp	3033.00		NIST
Inp	3040.00		NIST
Tboil	735.72	K	Relay (1.0) Calculated Property
Tc	1021.52	K	Relay (1.0) Calculated Property
Tfus	361.05	K	Relay (1.0) Calculated Property
Vc	1.113	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Meclizine.

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.