Chemical Properties of Protopine-M (demethylene-methyl-) isomer-2, AC

InChI

InChI=1S/C22H23NO6/c1-13(24)29-19-5-4-14-8-18(25)16-10-21-20(27-12-28-21)9-15(16)6-7-23(2)11-17(14)22(19)26-3/h4-5,9-10H,6-8,11-12H2,1-3H3

InChI Key

DLNOAWXITCAHCZ-UHFFFAOYSA-N

Formula

C22H23NO6

SMILES

COc1c(OC(C)=O)ccc2c1CN(C)CCc1cc3c(cc1C(=O)C2)OCO3

Molecular Weight¹

397.42

• 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
logPoct/wat	2.762		Crippen Calculated Property
McVol	288.200	ml/mol	McGowan Calculated Property
Inp	[3070.00; 3070.00]
Inp	3070.00		NIST
Inp	3070.00		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, 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 Protopine-M (demethylene-methyl-) isomer-2, AC.

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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