Chemical Properties of 1,5,7-Trimethyl-2-nitro-imidazo[4,5,d]pyrimidin-4,6-dione (CAS 153285-56-4)

InChI

InChI=1S/C8H9N5O4/c1-10-5-4(9-7(10)13(16)17)6(14)12(3)8(15)11(5)2/h1-3H3

InChI Key

BYTUYCJYACKIDG-UHFFFAOYSA-N

Formula

C8H9N5O4

SMILES

Cn1c(=O)c2nc([N+](=O)[O-])n(C)c2n(C)c1=O

Molecular Weight¹

239.19

CAS

153285-56-4

• 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 1,5,7-Trimethyl-2-nitro-imidazo[4,5,d]pyrimidin-4,6-dione.

Sources

• Cheméo Relay (1.0)
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• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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