Chemical Properties of Dihydromorphine (CAS 509-60-4)

InChI

InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3

InChI Key

IJVCSMSMFSCRME-UHFFFAOYSA-N

Formula

C17H21NO3

SMILES

CN1CCC23c4c5ccc(O)c4OC2C(O)CCC3C1C5

Molecular Weight¹

287.35

CAS

509-60-4

Other Names

• Morphinan-3,6-diol, 4,5-epoxy-17-methyl-, (5«alpha»,6«alpha»)-
• Hydromorphine
• Paramorfan
• Paramorphan
• Morphinan-3,6«alpha»-diol, 4,5«alpha»-epoxy-17-methyl-
• Morphine, dihydro-
• Dihydromorfin
• 6«alpha»-Hydromorphol
• «alpha»-Dihydromorphine
• Morphine, 7,8-dihydro-
• (5«alpha»,6«alpha»)-4,5-Epoxy-17-methylmorphinan-3,6-diol
• 7,8-Dihydromorphine
• NSC 117865
• 4,5-Epoxy-3-hydroxy-17-methylmorphinan-6-one (hydromorphone)

• 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_fusH : Enthalpy of fusion at a given temperature (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	0.7480		Relay (1.0) Calculated Property
ΔfG°	-50.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-317.31	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	131.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-1.52		Relay (1.0) Calculated Property
logPoct/wat	1.422		Crippen Calculated Property
McVol	210.780	ml/mol	McGowan Calculated Property
Pc	2291.93	kPa	Relay (1.0-beta) Calculated Property
Inp	[2450.00; 2534.60]
Inp	2534.60		NIST
Inp	2450.00		NIST
Inp	2451.00		NIST
Inp	2467.00		NIST
Inp	2451.00		NIST
Tboil	653.23	K	Relay (1.0) Calculated Property
Tc	998.00	K	Relay (1.0) Calculated Property
Tfus	424.51	K	Relay (1.0) Calculated Property
Vc	0.798	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Dihydromorphine.

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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