Chemical Properties of Adenine, n-(p-nitrophenyl)- (CAS 136112-69-1)

InChI

InChI=1S/C11H8N6O2/c18-17(19)8-3-1-7(2-4-8)16-11-9-10(13-5-12-9)14-6-15-11/h1-6H,(H2,12,13,14,15,16)

InChI Key

GKYHZIPVNFXXJO-UHFFFAOYSA-N

Formula

C11H8N6O2

SMILES

O=[N+]([O-])c1ccc(Nc2ncnc3[nH]cnc23)cc1

Molecular Weight¹

256.22

CAS

136112-69-1

• 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).
• 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 Adenine, n-(p-nitrophenyl)-.

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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