| CAS Number | 1486801-78-8 |
| Catalog Number | AG01DYSV |
| Chemical Name | 3-Methylpiperazine-2,6-dione |
| IUPAC Name | 3-methylpiperazine-2,6-dione |
| InChI | InChI=1S/C5H8N2O2/c1-3-5(9)7-4(8)2-6-3/h3,6H,2H2,1H3,(H,7,8,9) |
| InChI Key | XNJHLZCLSPEUJN-UHFFFAOYSA-N |
| MDL Number | MFCD21683087 |
| Molecular Formula | C5H8N2O2 |
| Molecular Weight | 128.1292 |
| SMILES | CC1C(=O)NC(=O)CN1 |
| Synonyms | 3-methylpiperazine-2,6-dione,
1486801-78-8,
AKOS015403960,
|
| Complexity | 155 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.131g/mol |
| Monoisotopic Mass | 128.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number