| CAS Number | 924642-59-1 |
| Catalog Number | AG01AFWH |
| Chemical Name | 1-(4-Bromo-2-methylbenzoyl)-4-methylpiperazine |
| IUPAC Name | (4-bromo-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone |
| InChI | InChI=1S/C13H17BrN2O/c1-10-9-11(14)3-4-12(10)13(17)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3 |
| InChI Key | NNRHWZYYIURZAO-UHFFFAOYSA-N |
| MDL Number | MFCD20543575 |
| Molecular Formula | C13H17BrN2O |
| Molecular Weight | 297.1909 |
| SMILES | CN1CCN(C(C2=C(C)C=C(Br)C=C2)=O)CC1 |
| Synonyms | 1-(4-bromo-2-methylbenzoyl)-4-methylpiperazine,
924642-59-1,
(4-Bromo-2-methyl-phenyl)-(4-methyl-piperazin-1-yl)-methanone,
SCHEMBL1447243,
NNRHWZYYIURZAO-UHFFFAOYSA-N,
(4-bromo-2-methyl-phenyl)-(4-methyl-piperazin-1-yl)methanone,
ZINC48167287,
NE58137,
A1-07780,
(4-bromo-2-methylphenyl)(4-methylpiperazin-1-yl)methanone,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.196g/mol |
| Monoisotopic Mass | 296.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number