Chemical Properties of Properidine (CAS 561-76-2)

InChI

InChI=1S/C16H23NO2/c1-13(2)19-15(18)16(9-11-17(3)12-10-16)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3

InChI Key

XJKQCILVUHXVIQ-UHFFFAOYSA-N

Formula

C16H23NO2

SMILES

CC(C)OC(=O)C1(c2ccccc2)CCN(C)CC1

Molecular Weight¹

261.36

CAS

561-76-2

Other Names

• 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, 1-methylethyl ester
• Isonipecotic acid, 1-methyl-4-phenyl-, isopropyl ester
• Gevelina
• Ipropethidine
• Isopedine
• Isopropyl 1-methyl-4-phenylisonipecotate
• 1-Methyl-4-phenylisonipecotic acid, isopropyl ester
• 1-Methyl-4-phenylpiperidine-4-carboxylic acid isopropyl ester
• Isopropyl 1-methyl-4-phenyl-4-piperidinecarboxylate
• Isopropyl 1-methyl-4-phenylpiperidine-4-carboxylate

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Similar Compounds

Find more compounds similar to Properidine.

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
• McGowan Method
• NIST Webbook

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