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»)-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7219		Relay (1.0) Calculated Property
ΔfG°	69.07	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-197.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	135.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	1.754		Crippen Calculated Property
McVol	230.360	ml/mol	McGowan Calculated Property
Pc	1922.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[2570.00; 2678.20]
Inp	2577.00		NIST
Inp	2570.00		NIST
Inp	2678.20		NIST
Inp	2580.00		NIST
Tboil	670.13	K	Relay (1.0) Calculated Property
Tc	1001.88	K	Relay (1.0) Calculated Property
Tfus	422.55	K	Relay (1.0) Calculated Property
Vc	0.837	m3/kmol	Relay (1.0) Calculated Property

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

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