| CAS Number | 1250997-76-2 |
| Catalog Number | AG01BBLO |
| Chemical Name | tert-Butyl n-((2-azabicyclo[2.2.2]octan-1-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-(2-azabicyclo[2.2.2]octan-1-ylmethyl)carbamate |
| InChI | InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)14-9-13-6-4-10(5-7-13)8-15-13/h10,15H,4-9H2,1-3H3,(H,14,16) |
| InChI Key | BANHIFXZDWSSCA-UHFFFAOYSA-N |
| MDL Number | MFCD18792096 |
| Molecular Formula | C13H24N2O2 |
| Molecular Weight | 240.3419 |
| SMILES | CC(OC(NCC12NCC(CC1)CC2)=O)(C)C |
| Synonyms | 1250997-76-2,
tert-butyl N-({2-azabicyclo[2.2.2]octan-1-yl}methyl)carbamate,
tert-butyl N-{2-azabicyclo[2.2.2]octan-1-ylmethyl}carbamate,
ZINC91675917,
AKOS026740710,
Z2108809922,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.347g/mol |
| Monoisotopic Mass | 240.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number