Chemical Properties of Benzylmorphine (CAS 14297-87-1)

InChI

InChI=1S/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3

InChI Key

RDJGWRFTDZZXSM-UHFFFAOYSA-N

Formula

C24H25NO3

SMILES

CN1CCC23c4c5ccc(OCc6ccccc6)c4OC2C(O)C=CC3C1C5

Molecular Weight¹

375.46

CAS

14297-87-1

Other Names

• 3-O-benzylmorphine
• 7,8-Didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)morphinan-6-ol
• Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5«alpha»,6«alpha»)-
• Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5«alpha»,6«alpha»)-
• Morphinan-6-«alpha»-ol, 3-(benzyloxy)-7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-
• Morphinan-6-«alpha»-ol, 3-(benzyloxy)-7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-
• Morphinan-6«alpha»-ol, 3-(benzyloxy)-7,8-didehydro-4,5«alpha»-epxoy-17-methyl-
• Morphinan-6«alpha»-ol, 3-(benzyloxy)-7,8-didehydro-4,5«alpha»-epxoy-17-methyl-
• Morphine, benzyl-
• O3-Benzylmorphine

• 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	0.7863		Relay (1.0) Calculated Property
ΔfG°	152.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-124.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	144.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-2.22		Aq. Solubility Prediction
logPoct/wat	3.072		Crippen Calculated Property
McVol	281.350	ml/mol	McGowan Calculated Property
Pc	1123.27	kPa	Relay (1.0-beta) Calculated Property
Inp	[3015.00; 3015.00]
Inp	3015.00		NIST
Inp	3015.00		NIST
Tboil	720.00	K	Relay (1.0) Calculated Property
Tc	1080.69	K	Relay (1.0) Calculated Property
Tfus	451.02	K	Relay (1.0) Calculated Property
Vc	1.062	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzylmorphine.

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
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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