| CAS Number | 1374651-38-3 |
| Catalog Number | AG01DJHO(AGN-PC-0JK0L4) |
| Chemical Name | Benzyl 6,9-dioxohexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate |
| IUPAC Name | benzyl 6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate |
| InChI | InChI=1S/C15H17N3O4/c19-13-8-16-14(20)12-9-17(6-7-18(12)13)15(21)22-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,20) |
| InChI Key | KTDXAWNNDPGABG-UHFFFAOYSA-N |
| MDL Number | MFCD22377965 |
| Molecular Formula | C15H17N3O4 |
| Molecular Weight | 303.3132 |
| SMILES | O=C(OCc1ccccc1)N1CCN2C(C1)C(=O)NCC2=O |
| Synonyms | 2-CBZ-6,9-DIOXOOCTAHYDROPYRAZINO[1,2-A]PYRAZINE,
1374651-38-3,
Benzyl 6,9-dioxohexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate,
MFCD22377965,
CS-0062174,
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| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.318g/mol |
| Monoisotopic Mass | 303.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number