Chemical Properties of Desipramine M(HO), acetylated

InChI

InChI=1S/C22H26N2O3/c1-16(25)23(3)13-6-14-24-21-8-5-4-7-18(21)9-10-19-15-20(27-17(2)26)11-12-22(19)24/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3

InChI Key

JJZGYDOWGFFLQG-UHFFFAOYSA-N

Formula

C22H26N2O3

SMILES

CC(=O)Oc1ccc2c(c1)CCc1ccccc1N2CCCN(C)C(C)=O

Molecular Weight¹

366.46

• 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).
• 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
IE	7.10	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	3.717		Crippen Calculated Property
McVol	291.430	ml/mol	McGowan Calculated Property
Inp	[3066.00; 3066.00]
Inp	3066.00		NIST
Inp	3066.00		NIST
Tfus	390.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 Desipramine M(HO), 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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