14-Cinnamoyloxycodeinone

Base Information

• Chemical Name: 14-Cinnamoyloxycodeinone
• CAS No.: 751-01-9
• Molecular Formula: C27H25NO5
• Molecular Weight: 443.53
• UNII: M9VES83RLJ
• DSSTox Substance ID: DTXSID401018230
• Nikkaji Number: J48.477F
• Wikipedia: 14-Cinnamoyloxycodeinone
• Wikidata: Q4549579
• Mol file: 751-01-9.mol

Synonyms:14-Cinnamoyloxycodeinone;751-01-9;14-Hydroxycodeinone cinnamate;Codeinone, 14-hydroxy-, cinnamate;M9VES83RLJ;Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, cinnamate;[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-3-phenylprop-2-enoate;Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-((1-oxo-3-phenyl-2-propenyl)oxy)-, (5-alpha)-;UNII-M9VES83RLJ;SCHEMBL15736852;DTXSID401018230;C27-H25-N-O5;LS-92115;Codeinone, 14-hydroxy-, cinnamate (7CI);Q4549579;[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl](E)-3-phenylprop-2-enoate;Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, (5alpha)-;Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (5.alpha.)-;Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (5alpha)-;Morphinan-6-one, 7,8-didehydro-4,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-, cinnamate (ester)

Chemical Property of 14-Cinnamoyloxycodeinone

Chemical Property:

• Vapor Pressure: 3.65E-15mmHg at 25°C
• Refractive Index: 1.6400 (estimate)
• Boiling Point: 617.2°Cat760mmHg
• PKA: 6.14±0.40(Predicted)
• Flash Point: 327.1°C
• PSA: 65.07000
• Density: 1.36g/cm³
• LogP: 3.02640
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 443.17327290
• Heavy Atom Count: 33
• Complexity: 878

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)OC(=O)C=CC6=CC=CC=C6
• Isomeric SMILES: CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)/C=C/C6=CC=CC=C6