Chemical Properties of Maprotiline M(Nor), acetyl conjugate

InChI

InChI=1S/C21H23NO/c1-15(23)22-14-6-12-21-13-11-16(17-7-2-4-9-19(17)21)18-8-3-5-10-20(18)21/h2-5,7-10,16H,6,11-14H2,1H3,(H,22,23)

InChI Key

XEWCNCFSWLDCFU-UHFFFAOYSA-N

Formula

C21H23NO

SMILES

CC(=O)NCCCC12CCC(c3ccccc31)c1ccccc12

Molecular Weight¹

305.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.64; 848.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.89497e+02
Coefficient B			2.38312e+00
Coefficient C			-2.14262e-03
Coefficient D			7.97760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.64	J/mol×K	273.00	Calculated Property
Cp,gas	420.75	J/mol×K	353.78	Calculated Property
Cp,gas	506.96	J/mol×K	434.56	Calculated Property
Cp,gas	578.77	J/mol×K	515.33	Calculated Property
Cp,gas	638.72	J/mol×K	596.11	Calculated Property
Cp,gas	689.32	J/mol×K	676.89	Calculated Property
Cp,gas	733.11	J/mol×K	757.67	Calculated Property
Cp,gas	772.59	J/mol×K	838.44	Calculated Property
Cp,gas	810.30	J/mol×K	919.22	Calculated Property
Cp,gas	848.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Maprotiline M(Nor), acetyl conjugate.

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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