| CAS Number | 78551-34-5 |
| Catalog Number | AG01DWO5(AGN-PC-040G7S) |
| Chemical Name | 6,6-dimethylpiperazin-2-one |
| IUPAC Name | 6,6-dimethylpiperazin-2-one |
| InChI | InChI=1S/C6H12N2O/c1-6(2)4-7-3-5(9)8-6/h7H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | JQSRSLNOFGCYKF-UHFFFAOYSA-N |
| MDL Number | MFCD19220708 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.1723 |
| SMILES | O=C1CNCC(N1)(C)C |
| Synonyms | 6,6-dimethylpiperazin-2-one,
78551-34-5,
6,6-dimethylpiperazinone,
6,6-dimethyl-piperazin-2-one,
SCHEMBL2392698,
JQSRSLNOFGCYKF-UHFFFAOYSA-N,
ZINC72233200,
AKOS005264824,
SB12421,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.175g/mol |
| Monoisotopic Mass | 128.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number