Chemical Properties of 6-Monoacetylmorphine (CAS 2784-73-8)

InChI

InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3

InChI Key

JJGYGPZNTOPXGV-UHFFFAOYSA-N

Formula

C19H21NO4

SMILES

CC(=O)OC1C=CC2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5

Molecular Weight¹

327.37

CAS

2784-73-8

Other Names

• Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, 6-acetate
• 6-Acetylmorphine
• 6-O-Acetylmorphine
• Monoacetylmorphine
• Morphine 6-acetate
• O6 Monoacetylmorphine
• 6-O-Monoacetylmorphine
• Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5«alpha»,6«alpha»)-, 6-acetate
• 7,8-Didehydro-4,5«alpha»-epoxy-17-methylmorphinan-3,6«alpha»-diol 6-acetate
• 6-MAM
• Morphine, a-monoacetyl-
• CAS# 59833-14-6

• 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
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.769		Crippen Calculated Property
McVol	236.230	ml/mol	McGowan Calculated Property
Inp	[2493.00; 2608.20]
Inp	2493.00		NIST
Inp	2495.00		NIST
Inp	Outlier 2608.20		NIST
Inp	2495.00		NIST
Inp	2537.00		NIST
Inp	2537.00		NIST
Inp	2552.00		NIST
Inp	2552.00		NIST
Inp	2535.00		NIST
Inp	2517.00		NIST
Inp	2537.00		NIST
Inp	Outlier 2608.20		NIST
Inp	2493.00		NIST
Inp	2535.00		NIST
Tfus	413.96	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.

Similar Compounds

Find more compounds similar to 6-Monoacetylmorphine.

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.