Chemical Properties of Promazine (CAS 58-40-2)

InChI

InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

InChI Key

ZGUGWUXLJSTTMA-UHFFFAOYSA-N

Formula

C17H20N2S

SMILES

CN(C)CCCN1c2ccccc2Sc2ccccc21

Molecular Weight¹

284.42

CAS

58-40-2

Other Names

• 10-[3-(Dimethylamino)Propyl]phenothiazine
• 10H-Phenothiazine-10-propanamine, N,N-dimethyl-
• 3276 R. P.
• A 145
• Ampazine
• Berophen
• Esparin
• Liranol
• N,N-Dimethyl-3-(10H-phenothiazin-10-yl)-1-propanamine
• N-Dimethylamino-1-methylethyl thiodiphenylamine
• N-[3-(Dimethylamino)propyl]phenothiazine
• NSC 31447
• Neo-Hibernex
• Phenothiazine, 10-(1-dimethylaminopropyl)-
• Phenothiazine, 10-[3-(dimethylamino)propyl]-
• Prazin
• Prazine
• Promazin
• Promazina
• Promwill
• Protactyl
• RP 3276
• Romtiazin
• Sinophenin
• Sparine
• Tomil
• Verophen
• Wy 1094

• 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	0.6148		Relay (1.0) Calculated Property
ΔfG°	388.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	212.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.38	kJ/mol	Relay (1.0) Calculated Property
IE	[7.20; 8.22]	eV
IE	8.22 ± 0.07	eV	NIST
IE	7.23 ± 0.12	eV	NIST
IE	7.20 ± 0.06	eV	NIST
log10WS	-4.30		Aq. Solubility Prediction
logPoct/wat	4.241		Crippen Calculated Property
McVol	228.320	ml/mol	McGowan Calculated Property
Pc	2151.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[2304.50; 2369.00]
Inp	2327.00		NIST
Inp	Outlier 2367.00		NIST
Inp	2326.00		NIST
Inp	2310.00		NIST
Inp	2329.00		NIST
Inp	2304.50		NIST
Inp	Outlier 2369.00		NIST
Inp	2315.00		NIST
Inp	2316.00		NIST
Inp	2313.00		NIST
Inp	2330.00		NIST
Inp	2335.00		NIST
Inp	2316.00		NIST
Inp	2329.00		NIST
Inp	2316.00		NIST
Tboil	684.49	K	Relay (1.0) Calculated Property
Tc	924.38	K	Relay (1.0) Calculated Property
Tfus	388.89	K	Relay (1.0) Calculated Property
Vc	0.824	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Promazine.

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.