Chemical Properties of 3-«beta»-Nicotinyltropin

InChI

InChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12+,13-

InChI Key

NHFDVEVAKLYKKT-CLLJXQQHSA-N

Formula

C14H18N2O2

SMILES

CN1C2CCC1CC(OC(=O)c1cccnc1)C2

Molecular Weight¹

246.30

• 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 3-«beta»-Nicotinyltropin.

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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