Chemical Properties of MAPROTILINE

InChI

InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3

InChI Key

QSLMDECMDJKHMQ-UHFFFAOYSA-N

Formula

C20H23N

SMILES

CNCCCC12CCC(c3ccccc31)c1ccccc12

Molecular Weight¹

277.41

Other Names

• 276-Ba
• 3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)propylmethylamine
• 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-
• 9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-
• Ludiomil
• Maprotylina
• N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.13	kJ/mol	Joback Calculated Property
logPoct/wat	4.211		Crippen Calculated Property
McVol	233.400	ml/mol	McGowan Calculated Property
Inp	[2296.00; 2403.20]
Inp	2331.00		NIST
Inp	2381.00		NIST
Inp	Outlier 2403.20		NIST
Inp	2341.00		NIST
Inp	2315.00		NIST
Inp	2315.00		NIST
Inp	2296.00		NIST
Inp	2325.00		NIST
Inp	2299.00		NIST
Inp	2356.00		NIST
Inp	2356.00		NIST
Tfus	365.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, 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	[295.50; 808.15]	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			-1.95947e+02
Coefficient B			2.31612e+00
Coefficient C			-2.10692e-03
Coefficient D			7.94900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.50	J/mol×K	273.00	Calculated Property
Cp,gas	394.94	J/mol×K	353.78	Calculated Property
Cp,gas	477.90	J/mol×K	434.56	Calculated Property
Cp,gas	546.88	J/mol×K	515.33	Calculated Property
Cp,gas	604.41	J/mol×K	596.11	Calculated Property
Cp,gas	652.99	J/mol×K	676.89	Calculated Property
Cp,gas	695.14	J/mol×K	757.67	Calculated Property
Cp,gas	733.38	J/mol×K	838.44	Calculated Property
Cp,gas	770.21	J/mol×K	919.22	Calculated Property
Cp,gas	808.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to MAPROTILINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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