Chemical Properties of Acetonylprazine (CAS 6784-62-9)

InChI

InChI=1S/C7H8N2O/c1-6(10)4-7-5-8-2-3-9-7/h2-3,5H,4H2,1H3

InChI Key

HKVMSCXHSSBGRU-UHFFFAOYSA-N

Formula

C7H8N2O

SMILES

CC(=O)Cc1cnccn1

Molecular Weight¹

136.15

CAS

6784-62-9

Other Names

• Pyrazine, acetonyl

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Acetonylprazine.

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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