Chemical Properties of Acetamide, 9h-purine-9-yl (CAS 99595-72-9)

InChI

InChI=1S/C7H7N5O/c8-6(13)2-12-4-11-5-1-9-3-10-7(5)12/h1,3-4H,2H2,(H2,8,13)

InChI Key

QSRCCSWUFSZXJQ-UHFFFAOYSA-N

Formula

C7H7N5O

SMILES

NC(=O)Cn1cnc2cncnc21

Molecular Weight¹

177.16

CAS

99595-72-9

• 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 Acetamide, 9h-purine-9-yl.

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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