Chemical Property of Thevinone
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Chemical Property:
- PSA:48.00000
- LogP:2.44240
- XLogP3:2.1
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:3
- Exact Mass:381.19400834
- Heavy Atom Count:28
- Complexity:753
- Purity/Quality:
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99.9% *data from raw suppliers
Thevinone *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC(=O)C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC
- Isomeric SMILES:CC(=O)[C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC
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Uses
Thevinone can be used as reactant/reagent in sequential N-oxidation and N-demethylation and method for the N-demethylation of N-Me heterocycles, especially morphinan alkaloids.