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8-boc-3,8-diazabicyclo[3.2.1]octan-2-one - 97%, high purity , CAS No.417727-40-3
Basic Description
| Synonyms |
417727-40-3 | 8-boc-3,8-diazabicyclo[3.2.1]octan-2-one | tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate | MFCD08693858 | (1S,5R)-tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate | SCHEMBL1485616 | OXGZIGAYYGRTHO-UHFFFAOYSA-N | AKOS000279561 | AK |
| Specifications & Purity |
≥97% |
| Storage Temp |
Room temperature |
| Shipped In |
Normal |
Names and Identifiers
| IUPAC Name |
tert-butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate |
| INCHI |
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-5-8(13)9(14)12-6-7/h7-8H,4-6H2,1-3H3,(H,12,14) |
| InChIKey |
OXGZIGAYYGRTHO-UHFFFAOYSA-N |
| Smiles |
CC(C)(C)OC(=O)N1C2CCC1C(=O)NC2 |
| Isomeric SMILES |
CC(C)(C)OC(=O)N1C2CCC1C(=O)NC2 |
| Molecular Weight |
226.276 |
| Reaxy-Rn |
13906894 |
| Reaxys-RN_link_address |
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13906894&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight |
226.270 g/mol |
| XLogP3 |
0.800 |
| Hydrogen Bond Donor Count |
1 |
| Hydrogen Bond Acceptor Count |
3 |
| Rotatable Bond Count |
2 |
| Exact Mass |
226.132 Da |
| Monoisotopic Mass |
226.132 Da |
| Topological Polar Surface Area |
58.600 Ų |
| Heavy Atom Count |
16 |
| Formal Charge |
0 |
| Complexity |
322.000 |
| Isotope Atom Count |
0 |
| Defined Atom Stereocenter Count |
0 |
| Undefined Atom Stereocenter Count |
2 |
| Defined Bond Stereocenter Count |
0 |
| Undefined Bond Stereocenter Count |
0 |
| The total count of all stereochemical bonds |
0 |
| Covalently-Bonded Unit Count |
1 |
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