| CAS Number | 2089255-05-8 |
| Catalog Number | AG01E92P |
| Chemical Name | tert-butyl 8-formyl-6-azabicyclo[3.2.1]octane-6-carboxylate |
| IUPAC Name | tert-butyl 8-formyl-6-azabicyclo[3.2.1]octane-6-carboxylate |
| InChI | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(14)10(9)8-15/h8-11H,4-7H2,1-3H3 |
| InChI Key | USCRSHWOWXQVSW-UHFFFAOYSA-N |
| MDL Number | MFCD30537790 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | CC(OC(N1C2C(C=O)C(CCC2)C1)=O)(C)C |
| Synonyms | tert-butyl 8-formyl-6-azabicyclo[3.2.1]octane-6-carboxylate,
2089255-05-8,
CS-0077449,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number