| CAS Number | 1246548-50-4 |
| Catalog Number | AG00HHQT |
| Chemical Name | 1-Benzyl-3-methylpiperazine-2,5-dione |
| IUPAC Name | 1-benzyl-3-methylpiperazine-2,5-dione |
| InChI | InChI=1S/C12H14N2O2/c1-9-12(16)14(8-11(15)13-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,15) |
| InChI Key | HNTYWRJULQTORS-UHFFFAOYSA-N |
| MDL Number | MFCD03265480 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CC1NC(=O)CN(C1=O)Cc1ccccc1 |
| Synonyms | 1-BENZYL-3-METHYLPIPERAZINE-2,5-DIONE,
1246548-50-4,
132871-09-1,
SCHEMBL8576433,
MFCD03265480,
AKOS014209686,
AB13941,
FCH5685508,
MCULE-1175801137,
1-Benzyl-3-methyl-piperazine-2,5-dione,
ACM132871091,
BBV-39238635,
(S)-1-Benzyl-3-methylpiperazine-2,5-dione,
132871-10-4,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number