| CAS Number | 1158766-50-7 |
| Catalog Number | AG01A0NU |
| Chemical Name | N-(4-bromophenyl)-2-(piperazin-1-yl)acetamide hydrochloride |
| IUPAC Name | N-(4-bromophenyl)-2-piperazin-1-ylacetamide;hydrochloride |
| InChI | InChI=1S/C12H16BrN3O.ClH/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16;/h1-4,14H,5-9H2,(H,15,17);1H |
| InChI Key | TXNDZNXEZWNOGS-UHFFFAOYSA-N |
| MDL Number | MFCD05656297 |
| Molecular Formula | C12H17BrClN3O |
| Molecular Weight | 334.6399 |
| SMILES | Cl.BrC1=CC=C(NC(CN2CCNCC2)=O)C=C1 |
| Synonyms | N-(4-bromophenyl)-2-(piperazin-1-yl)acetamide hydrochloride,
1158766-50-7,
NE13066,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.642g/mol |
| Monoisotopic Mass | 333.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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