| CAS Number | 750634-09-4 |
| Catalog Number | AG00ICLO(AGN-PC-0U6ND5) |
| Chemical Name | Tert-Butyl 5-Hydroxy-2-Azabicyclo[2.2.2]Octane-2-Carboxylate |
| IUPAC Name | tert-butyl 5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-8-4-5-9(13)6-10(8)14/h8-10,14H,4-7H2,1-3H3 |
| InChI Key | FNZOIHBLVUIGLG-UHFFFAOYSA-N |
| MDL Number | MFCD24468781 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | O=C(N1C(CC2)CC(O)C2C1)OC(C)(C)C |
| Synonyms | tert-butyl 5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate,
750634-09-4,
KS-000005UG,
MFCD24468781,
AKOS025396242,
FCH1661993,
SB14794,
2-Boc-2-azabicyclo[2.2.2]octan-5-ol,
AK173872,
AS-52745,
CS-0048183,
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-, 1,1-dimethylethyl ester,
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-,1,1-dimethylethyl ester,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number