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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.94; 335.27]	J/mol×K	[506.60; 743.89]
Cp,gas	257.94	J/mol×K	506.60	Joback Calculated Property
Cp,gas	273.48	J/mol×K	546.15	Joback Calculated Property
Cp,gas	287.86	J/mol×K	585.70	Joback Calculated Property
Cp,gas	301.16	J/mol×K	625.25	Joback Calculated Property
Cp,gas	313.44	J/mol×K	664.79	Joback Calculated Property
Cp,gas	324.78	J/mol×K	704.34	Joback Calculated Property
Cp,gas	335.27	J/mol×K	743.89	Joback Calculated Property
Pvap	0.03	kPa	298.15	The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography

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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