Chemical Properties of N-Acetylnortriptyline (CAS 16234-90-5)

InChI

InChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-12H,7,13-15H2,1-2H3

InChI Key

CDGDSKQTZFJQQF-UHFFFAOYSA-N

Formula

C21H23NO

SMILES

CC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21

Molecular Weight¹

305.41

CAS

16234-90-5

Other Names

• Noramitriptyline acetylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	427.28	kJ/mol	Joback Calculated Property
ΔfH°gas	97.47	kJ/mol	Joback Calculated Property
ΔfusH°	39.46	kJ/mol	Joback Calculated Property
ΔvapH°	78.01	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.085		Crippen Calculated Property
McVol	255.620	ml/mol	McGowan Calculated Property
Pc	1812.32	kPa	Joback Calculated Property
Inp	[2660.00; 2660.00]
Inp	2660.00		NIST
Inp	2660.00		NIST
Tboil	827.56	K	Joback Calculated Property
Tc	1060.84	K	Joback Calculated Property
Tfus	519.25	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.64; 845.68]	J/mol×K	[827.56; 1060.84]
Cp,gas	759.64	J/mol×K	827.56	Joback Calculated Property
Cp,gas	776.19	J/mol×K	866.44	Joback Calculated Property
Cp,gas	791.67	J/mol×K	905.32	Joback Calculated Property
Cp,gas	806.22	J/mol×K	944.20	Joback Calculated Property
Cp,gas	819.98	J/mol×K	983.08	Joback Calculated Property
Cp,gas	833.09	J/mol×K	1021.96	Joback Calculated Property
Cp,gas	845.68	J/mol×K	1060.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Acetylnortriptyline.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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