Chemical Properties of Protriptyline (CAS 438-60-8)

InChI

InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3

InChI Key

BWPIARFWQZKAIA-UHFFFAOYSA-N

Formula

C19H21N

SMILES

CNCCCC1c2ccccc2C=Cc2ccccc21

Molecular Weight¹

263.38

CAS

438-60-8

Other Names

• 5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-
• 5H-Dibenzo[a,d]cycloheptene-5-propylamine, N-methyl-
• Amimetilina
• MK 240
• Protryptyline
• Triptil
• 5-(3-Methylaminopropyl)-5H-Dibenzo[a,d]cycloheptene
• 7-(3-Methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene
• N-3-(5H-Dibenzo(a,d)cyclohepten-5-yl)propyl-N-methylamine
• N-Methyl-5H-dibenzo[a,d]cycloheptene-5-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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.73	kJ/mol	Joback Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	225.870	ml/mol	McGowan Calculated Property
Inp	[2207.00; 2319.20]
Inp	2254.00		NIST
Inp	2246.00		NIST
Inp	Outlier 2319.20		NIST
Inp	2251.00		NIST
Inp	2226.00		NIST
Inp	2226.00		NIST
Inp	2207.00		NIST
Inp	2230.00		NIST
Inp	2261.00		NIST
Inp	2265.00		NIST
Inp	Outlier 2319.20		NIST
Inp	2230.00		NIST
Inp	2246.00		NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.24; 737.71]	J/mol×K	[753.51; 986.87]
Cp,gas	649.24	J/mol×K	753.51	Joback Calculated Property
Cp,gas	666.69	J/mol×K	792.40	Joback Calculated Property
Cp,gas	682.91	J/mol×K	831.30	Joback Calculated Property
Cp,gas	698.00	J/mol×K	870.19	Joback Calculated Property
Cp,gas	712.09	J/mol×K	909.08	Joback Calculated Property
Cp,gas	725.29	J/mol×K	947.97	Joback Calculated Property
Cp,gas	737.71	J/mol×K	986.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Protriptyline.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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