Chemical Properties of Norbamipine, acetylated

InChI

InChI=1S/C20H24N2O/c1-17(23)21-14-12-20(13-15-21)22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3

InChI Key

LBPXYTOQUPXHCB-UHFFFAOYSA-N

Formula

C20H24N2O

SMILES

CC(=O)N1CCC(N(Cc2ccccc2)c2ccccc2)CC1

Molecular Weight¹

308.42

• 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	0.6337		Relay (1.0) Calculated Property
ΔfG°	370.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	20.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.31	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-3.04		Relay (1.0) Calculated Property
logPoct/wat	3.704		Crippen Calculated Property
McVol	255.810	ml/mol	McGowan Calculated Property
Pc	1739.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST
Tboil	682.54	K	Relay (1.0) Calculated Property
Tc	963.42	K	Relay (1.0) Calculated Property
Tfus	368.12	K	Relay (1.0) Calculated Property
Vc	0.904	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Norbamipine, acetylated.

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

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