| CAS Number | 2007910-58-7 |
| Catalog Number | AG002CYX(AGN-PC-0WNGOF) |
| Chemical Name | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester, acetate (1:1), (3-exo)- |
| IUPAC Name | acetic acid;tert-butyl (1R,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate |
| InChI | InChI=1S/C12H22N2O2.C2H4O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;1-2(3)4/h8-10H,4-7,13H2,1-3H3;1H3,(H,3,4)/t8?,9-,10+; |
| InChI Key | MGOGAGPPPDSADC-NJOOWJKCSA-N |
| MDL Number | MFCD30471659 |
| Molecular Formula | C14H26N2O4 |
| Molecular Weight | 286.3672 |
| SMILES | CC(O)=O.CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](N)C2 |
| Synonyms | exo-3-Amino-8-boc-8-azabicyclo[3.2.1]octane acetate,
2007910-58-7,
744183-20-8,
MFCD30471659,
AKOS030628660,
SB10013,
AS-53222,
CS-0049375,
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester, acetate (1:1), (3-exo)-,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.372g/mol |
| Monoisotopic Mass | 286.189g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number