| CAS Number | 1052546-88-9 |
| Catalog Number | AG008U6U |
| Chemical Name | N-[4-(4-Benzylpiperazin-1-yl)phenyl]-2-chloroacetamide hydrochloride |
| IUPAC Name | N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide;hydrochloride |
| InChI | InChI=1S/C19H22ClN3O.ClH/c20-14-19(24)21-17-6-8-18(9-7-17)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16;/h1-9H,10-15H2,(H,21,24);1H |
| InChI Key | DVWBUKWSAWMONM-UHFFFAOYSA-N |
| MDL Number | MFCD08692491 |
| Molecular Formula | C19H23Cl2N3O |
| Molecular Weight | 380.3114 |
| SMILES | O=C(NC1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C=C1)CCl.[H]Cl |
| Synonyms | N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide hydrochloride,
1052546-88-9,
AC1Q3BG3,
CTK6H5492,
AKOS027427058,
MCULE-8461220467,
NE26475,
EN300-23168,
J-001370,
J-523327,
923189-35-9,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.313g/mol |
| Monoisotopic Mass | 379.122g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number