| CAS Number | 1199942-73-8 |
| Catalog Number | AG00HF84(AGN-PC-0WG4OZ) |
| Chemical Name | 3-AMINO-6-AZA-BICYCLO[3.2.1]OCTANE-6-CARBOXYLIC ACID TERT-BUTYL ESTER |
| IUPAC Name | tert-butyl 3-amino-6-azabicyclo[3.2.1]octane-6-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-4-9(13)6-10(14)5-8/h8-10H,4-7,13H2,1-3H3 |
| InChI Key | NJWVSZHCSYPIMS-UHFFFAOYSA-N |
| MDL Number | MFCD17016784 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | NC1CC2CN(C(C1)C2)C(=O)OC(C)(C)C |
| Synonyms | 1199942-73-8,
3-Amino-6-aza-bicyclo[3.2.1]octane-6-carboxylic acid tert-butyl ester,
tert-butyl 3-amino-6-azabicyclo[3.2.1]octane-6-carboxylate,
MFCD17016784,
AM805808,
3-Amino-6-aza-bicyclo[3.2.1]octane-6-carboxylic acid t-butyl ester,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number