Chemical Properties of Norcodeine (CAS 467-15-2)

InChI

InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3

InChI Key

HKOIXWVRNLGFOR-UHFFFAOYSA-N

Formula

C17H19NO3

SMILES

COc1ccc2c3c1OC1C(O)C=CC4C(C2)NCCC341

Molecular Weight¹

285.34

CAS

467-15-2

Other Names

• Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5«alpha»,6«alpha»)-
• Morphinan-6«alpha»-ol, 7,8-didehydro-4,5«alpha»-epoxy-3-methoxy-
• N-Demethylated codeine
• N-Desmethylcodeine
• N-Norcodeine
• Normorphine 3-methyl ether
• 7,8-Didehydro-4,5-«alpha»-epoxy-3-methoxymorphinan-6-«alpha»-ol
• N-Demethylcodeine
• (5«alpha»,6«alpha»)-7,8-Didehydro-4,5-epoxy-3-methoxymorphinan-6-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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
ΔfusH°	44.04	kJ/mol	Joback Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	1.159		Crippen Calculated Property
McVol	206.480	ml/mol	McGowan Calculated Property
Inp	[2382.00; 2494.00]
Inp	2494.00		NIST
Inp	2382.00		NIST
Inp	2388.00		NIST
Inp	2388.00		NIST
Inp	2494.00		NIST
Tfus	444.11	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.16; 794.44]	J/mol×K	[841.77; 1073.97]
Cp,gas	688.16	J/mol×K	841.77	Joback Calculated Property
Cp,gas	705.05	J/mol×K	880.47	Joback Calculated Property
Cp,gas	721.93	J/mol×K	919.17	Joback Calculated Property
Cp,gas	739.06	J/mol×K	957.87	Joback Calculated Property
Cp,gas	756.69	J/mol×K	996.57	Joback Calculated Property
Cp,gas	775.06	J/mol×K	1035.27	Joback Calculated Property
Cp,gas	794.44	J/mol×K	1073.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norcodeine.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.