| CAS Number | 862703-10-4 |
| Catalog Number | AG00IDZO(AGN-PC-0V3KIM) |
| Chemical Name | 1,5-(DI-BOC)-3-OXO-1,5-DIAZOCANE |
| IUPAC Name | ditert-butyl 3-oxo-1,5-diazocane-1,5-dicarboxylate |
| InChI | InChI=1S/C16H28N2O5/c1-15(2,3)22-13(20)17-8-7-9-18(11-12(19)10-17)14(21)23-16(4,5)6/h7-11H2,1-6H3 |
| InChI Key | JGXZBEVKVNMXDF-UHFFFAOYSA-N |
| MDL Number | MFCD22690649 |
| Molecular Formula | C16H28N2O5 |
| Molecular Weight | 328.4039 |
| SMILES | CC(C)(C)OC(=O)N1CCCN(CC(=O)C1)C(=O)OC(C)(C)C |
| Synonyms | 1,5-(Di-Boc)-3-oxo-1,5-diazocane,
862703-10-4,
Di-tert-butyl 3-oxo-1,5-diazocane-1,5-dicarboxylate,
MFCD22690649,
AKOS027331485,
ZINC255188283,
AS-40710,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.409g/mol |
| Monoisotopic Mass | 328.2g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number