| CAS Number | 78551-33-4 |
| Catalog Number | AG00ICYB(AGN-PC-040G7K) |
| Chemical Name | 5,5-dimethylpiperazin-2-one |
| IUPAC Name | 5,5-dimethylpiperazin-2-one |
| InChI | InChI=1S/C6H12N2O/c1-6(2)4-7-5(9)3-8-6/h8H,3-4H2,1-2H3,(H,7,9) |
| InChI Key | PXOYURQBVLPPOI-UHFFFAOYSA-N |
| MDL Number | MFCD19226395 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.1723 |
| SMILES | O=C1NCC(C)(C)NC1 |
| Synonyms | 5,5-dimethylpiperazin-2-one,
78551-33-4,
5,5-dimethylpiperazinone,
Piperazinone, 5,5-dimethyl-,
SCHEMBL1441539,
PXOYURQBVLPPOI-UHFFFAOYSA-N,
MFCD19226395,
ZINC82411216,
AKOS006377705,
SB12420,
KS-000004O1,
AS-53122,
CS-0050733,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number