| CAS Number | 934233-73-5 |
| Catalog Number | AG00ILEG(AGN-PC-0WNH0W) |
| Chemical Name | 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-exo)- |
| IUPAC Name | tert-butyl (5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-11,15H,4-8H2,1-3H3/t9-,10?,11?/m1/s1 |
| InChI Key | GGTYYYZFCWRSSG-KPPDAEKUSA-N |
| MDL Number | MFCD30215786 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | C(OC(C)(C)C)(=O)N1[C@]2(C[C@@H](O)C[C@@]1(CCC2)[H])[H] |
| Synonyms | 934233-73-5,
9-?Azabicyclo[3.3.1]?nonane-?9-?carboxylic acid, 3-?hydroxy-?, 1,?1-?dimethylethyl ester, (3-?exo)?-,
AS-53905,
tert-butyl exo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number