| CAS Number | 1820575-47-0 |
| Catalog Number | AG00J2NX(AGN-PC-0WRAPN) |
| Chemical Name | tert-butyl rac-(1S,5S)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate hydrochloride |
| IUPAC Name | tert-butyl (1S,5S)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-7-9-4-5-10(8-14)13-6-9;/h9-10,13H,4-8H2,1-3H3;1H/t9-,10-;/m0./s1 |
| InChI Key | NLBLXZTXBHYFCH-IYPAPVHQSA-N |
| MDL Number | MFCD28024749 |
| Molecular Formula | C12H23ClN2O2 |
| Molecular Weight | 262.7762 |
| SMILES | N1(C[C@@H]2CC[C@@H](CN2)C1)C(=O)OC(C)(C)C.Cl |
| Synonyms | TERT-BUTYL (1S,5S)-3,6-DIAZABICYCLO[3.2.2]NONANE-3-CARBOXYLATE HYDROCHLORIDE,
1820575-47-0,
tert-butyl rac-(1S,5S)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate,
MFCD28024749,
AKOS030631142,
tert-butyl rac-(1S,5S)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate hydrochloride,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.778g/mol |
| Monoisotopic Mass | 262.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number