| CAS Number | 2031260-93-0 |
| Catalog Number | AG01B79Q |
| Chemical Name | tert-butyl N-{2-azabicyclo[2.2.2]octan-6-yl}carbamate hydrochloride |
| IUPAC Name | tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride |
| InChI | InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H |
| InChI Key | GRVADUPGAADKKC-UHFFFAOYSA-N |
| MDL Number | MFCD30345205 |
| Molecular Formula | C12H23ClN2O2 |
| Molecular Weight | 262.7762 |
| SMILES | Cl.CC(OC(NC1C2NCC(CC2)C1)=O)(C)C |
| Synonyms | tert-butyl N-{2-azabicyclo[2.2.2]octan-6-yl}carbamate hydrochloride,
2031260-93-0,
AKOS033949310,
Z2588063525,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.778g/mol |
| Monoisotopic Mass | 262.145g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number