| CAS Number | 1491454-34-2 |
| Catalog Number | AG01AM92 |
| Chemical Name | 1-Tert-butylpiperazine-2,5-dione |
| IUPAC Name | 1-tert-butylpiperazine-2,5-dione |
| InChI | InChI=1S/C8H14N2O2/c1-8(2,3)10-5-6(11)9-4-7(10)12/h4-5H2,1-3H3,(H,9,11) |
| InChI Key | SUHALEBOUNOUES-UHFFFAOYSA-N |
| MDL Number | MFCD21115160 |
| Molecular Formula | C8H14N2O2 |
| Molecular Weight | 170.209 |
| SMILES | CC(N1C(=O)CNC(=O)C1)(C)C |
| Synonyms | 1-tert-butylpiperazine-2,5-dione,
1491454-34-2,
SCHEMBL19862757,
ZINC83094645,
AKOS014285351,
Z2216303058,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.212g/mol |
| Monoisotopic Mass | 170.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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