Chemical Properties of N-Desmethylclomipramine ac. (CAS 72103-49-2)

InChI

InChI=1S/C20H23ClN2O/c1-15(24)22(2)12-5-13-23-19-7-4-3-6-16(19)8-9-17-10-11-18(21)14-20(17)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3

InChI Key

MKZYWCOSALTCPB-UHFFFAOYSA-N

Formula

C20H23ClN2O

SMILES

CC(=O)N(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21

Molecular Weight¹

342.86

CAS

72103-49-2

Other Names

• Clomipramine M(Nor), acetylated

• 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	-4.96		Crippen Calculated Property
logPoct/wat	4.445		Crippen Calculated Property
McVol	268.050	ml/mol	McGowan Calculated Property
Inp	[2994.00; 2994.00]
Inp	2994.00		NIST
Inp	2994.00		NIST

Similar Compounds

Find more compounds similar to N-Desmethylclomipramine ac..

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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