| CAS Number | 934180-37-7 |
| Catalog Number | AG00IL7Z(AGN-PC-0WNH0X) |
| Chemical Name | tert-butyl (1R,3r,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate |
| IUPAC Name | tert-butyl (1S,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? |
| InChI Key | GGTYYYZFCWRSSG-ZACCUICWSA-N |
| MDL Number | MFCD30738066 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | CC(OC(N1[C@H]2C[C@@H](C[C@@H]1CCC2)O)=O)(C)C |
| Synonyms | 934180-37-7,
tert-butyl endo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate,
SCHEMBL910608,
SCHEMBL910981,
934233-73-5,
MFCD30215786,
MFCD30738066,
ZINC114828756,
ZINC114829740,
AS-53906,
CS-0048105,
CS-0049929,
t-Butyl endo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate,
exo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester,
(3-exo)-3-Hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid 1,1-dimethylethyl ester,
endo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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