| CAS Number | 2089333-94-6 |
| Catalog Number | AG01DHZ3 |
| Chemical Name | methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate |
| IUPAC Name | methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate |
| InChI | InChI=1S/C16H21NO2/c1-19-16(18)15-13-7-8-14(15)11-17(10-13)9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3 |
| InChI Key | WAYVGJGLPDTNGF-UHFFFAOYSA-N |
| MDL Number | MFCD30472102 |
| Molecular Formula | C16H21NO2 |
| Molecular Weight | 259.3434 |
| SMILES | COC(=O)C1C2CCC1CN(C2)Cc1ccccc1 |
| Synonyms | Methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate,
2089333-94-6,
AS-69948,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.157229g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.34g/mol |
| Monoisotopic Mass | 259.157229g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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