| CAS Number | 1803571-82-5 |
| Catalog Number | AG00I01E(AGN-PC-0WG4PL) |
| Chemical Name | tert-butyl 3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate |
| IUPAC Name | tert-butyl 3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate |
| InChI | InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-7-4-8(13)5-9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14) |
| InChI Key | FBLFHEQOJHWNMY-UHFFFAOYSA-N |
| MDL Number | MFCD27997338 |
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.2722 |
| SMILES | CC(OC(N1C2CC(NC(C2)C1)=O)=O)(C)C |
| Synonyms | tert-Butyl 3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate,
1803571-82-5,
MFCD27997338,
CS-0035457,
t-Butyl 3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate,
tert-Butyl 3-oxo-4,7-diazabicyclo[3.2.1]octane-7-carboxylate,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.276g/mol |
| Monoisotopic Mass | 226.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number