Chemical Properties of Nalorphine (CAS 62-67-9)

InChI

InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2

InChI Key

UIQMVEYFGZJHCZ-UHFFFAOYSA-N

Formula

C19H21NO3

SMILES

C=CCN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5

Molecular Weight¹

311.37

CAS

62-67-9

Other Names

• Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, (5«alpha»,6«alpha»)-
• Morphinan-3,6«alpha»-diol, 17-allyl-7,8-didehydro-4,5«alpha»-epoxy-
• Allorphine
• Anarcon
• Anthorphine
• Antorfin
• Antorphin
• Antorphine
• Lethidrone
• Letidron
• N-Allylnormorphine
• Nallin
• Nalline
• Nalorphin
• Norfin
• NANM
• Acetorfin
• N-Allyl-7,8-dehydro-4,5-epoxy-3,6-dihydroxymorphinan
• N-Allyl-N-desmethylmorphine
• Nalorfina
• Nalorphinium
• Normorphine, N-allyl-
• 17-Allyl-7,8-didehydro-4,5«alpha»-epoxymorphinan-3,6«alpha»-diol
• Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propen-1-yl)-, (5«alpha»,6«alpha»)-

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

Physical Properties

Property	Value	Unit	Source
IE	8.15	eV	NIST
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	1.754		Crippen Calculated Property
McVol	230.360	ml/mol	McGowan Calculated Property
Inp	[2542.00; 2678.20]
Inp	2580.00		NIST
Inp	2590.00		NIST
Inp	2570.00		NIST
Inp	Outlier 2678.20		NIST
Inp	2577.00		NIST
Inp	2542.00		NIST
Inp	2577.00		NIST
Inp	2577.00		NIST
Inp	2590.00		NIST
Inp	2577.00		NIST
Inp	2577.00		NIST
Inp	Outlier 2678.20		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 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 Nalorphine.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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