| CAS Number | 62828-00-6 |
| Catalog Number | AG019G9R(AGN-PC-02NDOT) |
| Chemical Name | 1-Methylpiperazine-2,6-dione-M13399 |
| IUPAC Name | 1-methylpiperazine-2,6-dione |
| InChI | InChI=1S/C5H8N2O2/c1-7-4(8)2-6-3-5(7)9/h6H,2-3H2,1H3 |
| InChI Key | LAEXPJQUWCGDGC-UHFFFAOYSA-N |
| MDL Number | MFCD19219203 |
| Molecular Formula | C5H8N2O2 |
| Molecular Weight | 128.1292 |
| SMILES | CN1C(=O)CNCC1=O |
| Synonyms | 1-Methylpiperazine-2,6-dione,
62828-00-6,
2,6-Piperazinedione, 1-methyl-,
methyl-piperazine-2,6-dione,
SCHEMBL83965,
CTK2B1654,
DTXSID10602998,
ZINC49804406,
AKOS006356760,
SB11265,
CS-0055466,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.131g/mol |
| Monoisotopic Mass | 128.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
Lot Number