Chemical Properties of 4H-Pyrido[1,2-a]pyrimidin-4-one, 3,6-dimethyl- (CAS 39080-46-1)

InChI

InChI=1S/C10H10N2O/c1-7-6-11-9-5-3-4-8(2)12(9)10(7)13/h3-6H,1-2H3

InChI Key

VNZAABOALQMGKL-UHFFFAOYSA-N

Formula

C10H10N2O

SMILES

Cc1cnc2cccc(C)n2c1=O

Molecular Weight¹

174.20

CAS

39080-46-1

Other Names

• 3,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
• 3,6-Dimethyl-4H-pyrid-[1,2-a]-pyrimidin-4-one

• 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.
• I : 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 4H-Pyrido[1,2-a]pyrimidin-4-one, 3,6-dimethyl-.

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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