Chemical Properties of Adenine, n,n-bis(2-hydroxyethyl)- (CAS 6312-66-9)

InChI

InChI=1S/C9H13N5O2/c15-3-1-14(2-4-16)9-7-8(11-5-10-7)12-6-13-9/h5-6,15-16H,1-4H2,(H,10,11,12,13)

InChI Key

HDFTZBLKBXGFGD-UHFFFAOYSA-N

Formula

C9H13N5O2

SMILES

OCCN(CCO)c1ncnc2[nH]cnc12

Molecular Weight¹

223.23

CAS

6312-66-9

• 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,n-bis(2-hydroxyethyl)-.

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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