Chemical Properties of trans-2-Phenylcyclopropylamine, N-trimethylsilyl-

InChI

InChI=1S/C12H19NSi/c1-14(2,3)13-12-9-11(12)10-7-5-4-6-8-10/h4-8,11-13H,9H2,1-3H3

InChI Key

COFKMVMSINXIOK-UHFFFAOYSA-N

Formula

C12H19NSi

SMILES

C[Si](C)(C)NC1CC1c1ccccc1

Molecular Weight¹

205.37

Other Names

• 1,1,1-Trimethyl-N-[(1R,2S)-2-phenylcyclopropyl]silanamine
• Tranylcypromine, (e)-, tms derivative

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3992		Relay (1.0) Calculated Property
ΔfG°	235.31	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-11.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	2.967		Crippen Calculated Property
Pc	2018.87	kPa	Relay (1.0-beta) Calculated Property
Inp	[1427.70; 1427.70]
Inp	1427.70		NIST
Inp	1427.70		NIST
Tboil	524.81	K	Relay (1.0) Calculated Property
Tc	737.08	K	Relay (1.0) Calculated Property
Tfus	295.90	K	Relay (1.0) Calculated Property
Vc	0.664	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Phenylcyclopropylamine, N-trimethylsilyl-.

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
• NIST Webbook

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