| CAS Number | 1457823-43-6 |
| Catalog Number | AG01ELGI(AGN-PC-0WCWWU) |
| Chemical Name | N-(4-Bromophenyl)piperazine-1-carboxamide hydrochloride |
| IUPAC Name | N-(4-bromophenyl)piperazine-1-carboxamide;hydrochloride |
| InChI | InChI=1S/C11H14BrN3O.ClH/c12-9-1-3-10(4-2-9)14-11(16)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16);1H |
| InChI Key | BWVXMHGVOBNFAC-UHFFFAOYSA-N |
| MDL Number | MFCD30530019 |
| Molecular Formula | C11H15BrClN3O |
| Molecular Weight | 320.6133 |
| SMILES | Cl.BrC1=CC=C(NC(N2CCNCC2)=O)C=C1 |
| Synonyms | 1457823-43-6,
AKOS030236319,
A1-04062,
N-(4-bromophenyl)piperazine-1-carboxamide hydrochloride,
Piperazine-1-carboxylic acid (4-bromo-phenyl)-amide hydrochloride,
Piperazine-1-carboxylic acid (4-bromophenyl)-amide hydrochloride,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.615g/mol |
| Monoisotopic Mass | 319.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number