Chemical Properties of Perphenazine (CAS 58-39-9)

InChI

InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2

InChI Key

RGCVKNLCSQQDEP-UHFFFAOYSA-N

Formula

C21H26ClN3OS

SMILES

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

Molecular Weight¹

403.97

CAS

58-39-9

Other Names

• 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina
• 1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine
• 1-Piperazineethanol, 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-
• 1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
• 2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine
• 2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine
• 4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol
• 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol
• Chlorperphenazine
• Decentan
• Emesinal
• Etaperazin
• Etaperazine
• Ethaperazine
• F-mon
• Fentazin
• NSC 150866
• PZC
• Perfenazina
• Perfenazine
• Perfenil
• Perphenan
• Perphenazin
• Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
• Sch 3940
• Thilatazin
• Tranquisan
• Trifaron
• Trilafon
• Trilifan
• Triphenot
• «gamma»-(4-(«beta»-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
• «gamma»-(4-(«beta»-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine

• 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_fusH : Enthalpy of fusion at a given temperature (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	0.9601		Relay (1.0) Calculated Property
ΔfG°	330.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	5.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	151.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.63 ± 0.07	eV	NIST
log10WS	-4.24		Aq. Solubility Prediction
logPoct/wat	3.943		Crippen Calculated Property
McVol	301.910	ml/mol	McGowan Calculated Property
Pc	1365.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[3243.00; 3243.00]
Inp	3243.00		NIST
Inp	3243.00		NIST
Tboil	779.57	K	Relay (1.0) Calculated Property
Tc	1063.85	K	Relay (1.0) Calculated Property
Tfus	[366.80; 368.62]	K
Tfus	368.62	K	Aq. Solubility Prediction
Tfus	366.80	K	Solubility of pharmaceuticals in water and alcohols
Vc	1.067	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Perphenazine.

Mixtures

• Perphenazine + Water
• Ethanol + Perphenazine
• 1-Octanol + Perphenazine

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
• Solubility of pharmaceuticals in water and alcohols
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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