Chemical Properties of Quinazolin-4-one, 3-ethyl (CAS 3476-65-1)

InChI

InChI=1S/C10H10N2O/c1-2-12-7-11-9-6-4-3-5-8(9)10(12)13/h3-7H,2H2,1H3

InChI Key

BMFONNKQZRYQSO-UHFFFAOYSA-N

Formula

C10H10N2O

SMILES

CCn1cnc2ccccc2c1=O

Molecular Weight¹

174.20

CAS

3476-65-1

Other Names

• 4-Quinazolone, 3-ethyl

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	1.416		Crippen Calculated Property
McVol	134.370	ml/mol	McGowan Calculated Property
Inp	[1664.00; 1664.00]
Inp	1664.00		NIST
Inp	1664.00		NIST
Inp	1664.00		NIST
Tboil	601.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 Quinazolin-4-one, 3-ethyl.

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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