Chemical Properties of Dibenzepin M(Nor), acetylated

InChI

InChI=1S/C19H21N3O2/c1-14(23)20(2)12-13-22-18-11-7-6-10-17(18)21(3)16-9-5-4-8-15(16)19(22)24/h4-11H,12-13H2,1-3H3

InChI Key

ZDAPGODXDLFVIH-UHFFFAOYSA-N

Formula

C19H21N3O2

SMILES

CC(=O)N(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21

Molecular Weight¹

323.39

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.893		Crippen Calculated Property
McVol	253.270	ml/mol	McGowan Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 Dibenzepin M(Nor), acetylated.

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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