| CAS Number | 16607-47-9 |
| Catalog Number | AG001WHG(AGN-PC-0BUDAV) |
| Chemical Name | 6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
| IUPAC Name | 6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
| InChI | InChI=1S/C14H17NO/c16-14-7-12-6-13(8-14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2 |
| InChI Key | REVWWFCQBQDVEN-UHFFFAOYSA-N |
| MDL Number | MFCD28955986 |
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.2909 |
| SMILES | O=C1CC2N(CC(C2)C1)CC1=CC=CC=C1 |
| Synonyms | 6-Benzyl-6-azabicyclo[3.2.1]octan-3-one,
16607-47-9,
6-Azabicyclo[3.2.1]octan-3-one, 6-(phenylmethyl)-,
SCHEMBL2080202,
CTK0A8922,
DTXSID20726876,
REVWWFCQBQDVEN-UHFFFAOYSA-N,
AKOS030558100,
A1-08031,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.296g/mol |
| Monoisotopic Mass | 215.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number