| CAS Number | 1428546-38-6 |
| Catalog Number | AG01EBNC(AGN-PC-0WG4PH) |
| Chemical Name | rel-tert-Butyl (1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-ylcarbamate |
| IUPAC Name | tert-butyl N-[(1R,4S)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate |
| InChI | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8-4-7(9)6-12-8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?/m0/s1 |
| InChI Key | VERHYGQTHIOMQC-ZQTLJVIJSA-N |
| MDL Number | MFCD22209804 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2 |
| Synonyms | rel-tert-Butyl (1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-ylcarbamate,
1428546-38-6,
tert-Butyl (1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-ylcarbamate,
1932796-87-6,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.293g/mol |
| Monoisotopic Mass | 212.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number