Chemical Properties of Cyclopropanamine, 2-phenyl-, trans-(+)- (CAS 3721-28-6)

InChI

InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1

InChI Key

AELCINSCMGFISI-BDAKNGLRSA-N

Formula

C9H11N

SMILES

NC1CC1c1ccccc1

Molecular Weight¹

133.19

CAS

3721-28-6

Other Names

• (+)-Tranylcypromine
• (+)-trans-2-Phenylcyclopropylamine
• (1R,2S)-rel-2-phenylcyclopropanamine
• (1S-trans)-2-Phenylcyclopropanamine
• 2-Phenyl-1-aminocyclopropane, trans-
• Cyclopropylamine, 2-phenyl-, (1S-trans)-
• Cyclopropylamine, 2-phenyl-, trans-
• D-Tranylcypromine
• dl-tranylcypromine
• trans-2-phenylcyclopropylamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.35; 387.49]	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			-7.70100e+01
Coefficient B			9.66200e-01
Coefficient C			-7.05200e-04
Coefficient D			2.03500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.35	J/mol×K	273.00	Calculated Property
Cp,gas	185.56	J/mol×K	353.78	Calculated Property
Cp,gas	226.39	J/mol×K	434.56	Calculated Property
Cp,gas	261.48	J/mol×K	515.33	Calculated Property
Cp,gas	291.47	J/mol×K	596.11	Calculated Property
Cp,gas	317.01	J/mol×K	676.89	Calculated Property
Cp,gas	338.73	J/mol×K	757.67	Calculated Property
Cp,gas	357.29	J/mol×K	838.44	Calculated Property
Cp,gas	373.33	J/mol×K	919.22	Calculated Property
Cp,gas	387.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanamine, 2-phenyl-, trans-(+)-.

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
• The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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