Chemical Properties of Hydroxyzine (CAS 68-88-2)

InChI

InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2

InChI Key

ZQDWXGKKHFNSQK-UHFFFAOYSA-N

Formula

C21H27ClN2O2

SMILES

OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

Molecular Weight¹

374.90

CAS

68-88-2

Other Names

• Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-
• Ethanol, 2-[2-[4-(p-chloro-«alpha»-phenylbenzyl)-1-piperazinyl]ethoxy]-
• Fenarol
• Hydroxizine
• Hydroxyzin
• Tran-Q
• U.C.B 4492
• neo-Calma
• Atara
• Atarax base
• Ataraxoid
• Atarazoid
• Atarox
• Atazina
• Aterax
• Deinait
• Equipoise
• Hychotine
• Hydroxine
• Hydroxycine
• Idrossizina
• N-(4-Chlorobenzhydryl)-N'-(hydroxyethoxyethyl)piperazine
• Neurozina
• Nevrolaks
• NP 212
• Pamazone
• Parenteral
• Paxistil
• Placidol
• Plaxidol
• Traquizine
• UCB 492
• Vesparaz-Wirkstoff
• 1-(p-Chloro-«alpha»-phenylbenzyl)-4-(2-((2-hydroxyethoxy)ethyl)piperazine
• 1-(p-Chlorobenzhydryl)-4-(2-(2-hydroxyethoxy)ethyl)diethylenediamine
• 1-(p-Chlorobenzhydryl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine
• 1-(p-Chlorodiphenylmethyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine
• 2-(2-(4-(p-Chloro-«alpha»-phenylbenzyl)-1-piperazinyl)ethoxy)ethanol
• Hydroksyzyny
• Hydroxyzyne
• Tranquizine
• UCB-4492
• Hydroxyzine base
• NSC 170960

• 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	0.9104		Relay (1.0) Calculated Property
ΔfG°	228.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-151.66	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	128.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	3.056		Crippen Calculated Property
McVol	292.310	ml/mol	McGowan Calculated Property
Pc	1586.93	kPa	Relay (1.0-beta) Calculated Property
Inp	[2820.00; 2884.00]
Inp	2876.00		NIST
Inp	2884.00		NIST
Inp	2867.00		NIST
Inp	2871.00		NIST
Inp	2820.00		NIST
Inp	2874.00		NIST
Inp	2874.00		NIST
Inp	2832.00		NIST
Inp	2849.00		NIST
Inp	2838.00		NIST
Inp	2849.00		NIST
Inp	2832.00		NIST
Inp	2849.00		NIST
Inp	2876.00		NIST
Inp	2849.00		NIST
Tboil	724.90	K	Relay (1.0) Calculated Property
Tc	982.19	K	Relay (1.0) Calculated Property
Tfus	352.91	K	Relay (1.0) Calculated Property
Vc	1.020	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Hydroxyzine.

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
• Crippen 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.