Chemical Properties of 10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,«beta»-trimethyl- (CAS 851-68-3)

InChI

InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3

InChI Key

VRQVVMDWGGWHTJ-UHFFFAOYSA-N

Formula

C19H24N2OS

SMILES

COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2

Molecular Weight¹

328.47

CAS

851-68-3

Other Names

• Phenothiazine, 10-[3-(dimethylamino)-2-methylpropyl]-2-methoxy-
• 10-(3-(Dimethylamino)-2-methylpropyl)-2-methoxyphenothiazine
• (.+/-.)-Methotrimeprazine
• dl-Methotrimeprazine
• 2-Methoxy-N,N,«beta»-trimethyl-10H-phenothiazine-10-propylamine
• 2-Methoxy-N,N,beta-trimethyl-10H-phenothiazine-10-propylamine
• Methotrimeprazine
• Levomepromazine
• Levomepropazine

• 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	0.7018		Relay (... Calculated Property
ΔfG°	296.98	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	33.53	kJ/mol	Relay (... Calculated Property
ΔvapH°	108.95	kJ/mol	Relay (... Calculated Property
IE	6.83	eV	Relay (... Calculated Property
log10WS	-4.90		Relay (... Calculated Property
logPoct/wat	4.496		Crippen Calculated Property
McVol	262.370	ml/mol	McGowan Calculated Property
Pc	1718.74	kPa	Relay (... Calculated Property ⚠️
Inp	[2490.00; 2569.00]
Inp	2521.00		NIST
Inp	2557.00		NIST
Inp	2532.00		NIST
Inp	2512.00		NIST
Inp	2510.00		NIST
Inp	2536.00		NIST
Inp	2535.00		NIST
Inp	2535.00		NIST
Inp	2538.00		NIST
Inp	2539.00		NIST
Inp	2540.00		NIST
Inp	2540.00		NIST
Inp	2540.00		NIST
Inp	2540.00		NIST
Inp	2542.00		NIST
Inp	2542.00		NIST
Inp	2542.00		NIST
Inp	2542.00		NIST
Inp	2540.00		NIST
Inp	2540.00		NIST
Inp	2542.00		NIST
Inp	2542.00		NIST
Inp	2543.00		NIST
Inp	2545.00		NIST
Inp	2545.00		NIST
Inp	2545.00		NIST
Inp	2547.00		NIST
Inp	2550.00		NIST
Inp	2530.00		NIST
Inp	2530.00		NIST
Inp	2532.00		NIST
Inp	2535.00		NIST
Inp	2535.00		NIST
Inp	2535.00		NIST
Inp	2537.00		NIST
Inp	2537.00		NIST
Inp	2537.00		NIST
Inp	2537.00		NIST
Inp	2540.00		NIST
Inp	2511.00		NIST
Inp	2511.00		NIST
Inp	Outlier 2490.00		NIST
Inp	2515.00		NIST
Inp	2543.00		NIST
Inp	Outlier 2563.00		NIST
Inp	2542.00		NIST
Inp	2540.00		NIST
Inp	Outlier 2569.00		NIST
Inp	2514.00		NIST
Inp	2542.00		NIST
Inp	2532.00		NIST
Inp	2512.00		NIST
Inp	2538.00		NIST
Inp	2540.00		NIST
Inp	2545.00		NIST
Inp	2530.00		NIST
Inp	2535.00		NIST
Tboil	707.86	K	Relay (... Calculated Property
Tc	939.27	K	Relay (... Calculated Property
Tfus	398.46	K	Relay (... Calculated Property
Vc	0.928	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,«beta»-trimethyl-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.