| CAS Number | 1225950-57-1 |
| Catalog Number | AG01DLGQ |
| Chemical Name | 2-Bromo-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one |
| IUPAC Name | 2-bromo-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one |
| InChI | InChI=1S/C9H17BrN2O/c1-9(2,10)8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3 |
| InChI Key | AACCZJLHKXGEHN-UHFFFAOYSA-N |
| MDL Number | MFCD16485959 |
| Molecular Formula | C9H17BrN2O |
| Molecular Weight | 249.1481 |
| SMILES | CN1CCN(CC1)C(=O)C(C)(C)Br |
| Synonyms | 1225950-57-1,
2-BROMO-2-METHYL-1-(4-METHYL-PIPERAZIN-1-YL)-PROPAN-1-ONE,
2-bromo-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one,
SCHEMBL15966375,
DTXSID20694985,
MFCD16485959,
ZINC41673596,
AS-31839,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.152g/mol |
| Monoisotopic Mass | 248.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number