Phyllalbine
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
Also Known As: Phyllalbine|Fillalbin|Prestwick_1029|O-Vanilloyl-tropin|Prestwick0_000691|Prestwick1_000691|Prestwick2_000691|SPBio_002762|(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate|8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3-methoxybenzoate|(8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 4-hydroxy-3-methoxybenzoate|(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxy-benzoate|8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate|(8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL) 4-HYDROXY-3-METHOXY-BENZOATE|Fillalbin 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3-methoxybenzoate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.14706 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14706 |
| Monoisotopic Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 4540-25-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)O)OC |
| InChIKey | OZKTVDIYALBSMA-UHFFFAOYSA-N |
Product Overview
Phyllalbine (CAS 4540-25-4), with molecular formula C16H21NO4 and molecular weight 291.14706 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate.
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