Chemical Properties of Noxiptiline (CAS 3362-45-6)

InChI

InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3

InChI Key

GPTURHKXTUDRPC-UHFFFAOYSA-N

Formula

C19H22N2O

SMILES

CN(C)CCON=C1c2ccccc2CCc2ccccc21

Molecular Weight¹

294.39

CAS

3362-45-6

Other Names

• 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one O-[2-dimethylamino)ethyl]oxime
• Noxiptyline
• Dibenzoxin
• Noxiptilin
• Noxiptylin

• 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	0.7559		Relay (1.0) Calculated Property
ΔfG°	384.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	219.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	3.116		Crippen Calculated Property
McVol	241.720	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[2265.00; 2269.00]
Inp	2267.00		NIST
Inp	2265.00		NIST
Inp	2269.00		NIST
Inp	2268.00		NIST
Tboil	687.89	K	Relay (1.0) Calculated Property
Tc	929.98	K	Relay (1.0) Calculated Property
Tfus	397.87	K	Relay (1.0) Calculated Property
Vc	0.878	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Noxiptiline.

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
• Joback Method
• McGowan Method
• NIST Webbook

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