Chemical Properties of 2-Formyl-2-desmethyl-methaqualone (CAS 131147-51-8)

InChI

InChI=1S/C16H12N2O2/c1-11-6-2-5-9-14(11)18-15(10-19)17-13-8-4-3-7-12(13)16(18)20/h2-10H,1H3

InChI Key

ZKMDXGXNOKMRKT-UHFFFAOYSA-N

Formula

C16H12N2O2

SMILES

Cc1ccccc1-n1c(C=O)nc2ccccc2c1=O

Molecular Weight¹

264.28

CAS

131147-51-8

Other Names

• 2-Quinazolinecarboxaldehyde, 3,4-dihydro-3-(2-methylphenyl)-4-oxo-
• Methaqualone M (2-formyl)

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	28.78	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.65		Relay (1.0) Calculated Property
logPoct/wat	2.507		Crippen Calculated Property
McVol	196.720	ml/mol	McGowan Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tfus	430.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 2-Formyl-2-desmethyl-methaqualone.

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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