| CAS Number | 1823500-01-1 |
| Catalog Number | AG01BGID |
| Chemical Name | tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate |
| IUPAC Name | tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-4-6-10(8-14)13-9/h9-10,13H,4-8H2,1-3H3 |
| InChI Key | NRSXXKHXMGDSKT-UHFFFAOYSA-N |
| MDL Number | MFCD28098139 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | CC(C)(OC(N1CC2CCCC(C1)N2)=O)C |
| Synonyms | tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate,
1823500-01-1,
3,9-Diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester,
SCHEMBL18081207,
ACN-045270,
FCH2898995,
NE64624,
CS-0058468,
EN300-191111,
N/A,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number