| CAS Number | 923125-02-4 |
| Catalog Number | AG00GUDP |
| Chemical Name | 4-(2-Chloroacetyl)-N-phenylpiperazine-1-carboxamide |
| IUPAC Name | 4-(2-chloroacetyl)-N-phenylpiperazine-1-carboxamide |
| InChI | InChI=1S/C13H16ClN3O2/c14-10-12(18)16-6-8-17(9-7-16)13(19)15-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19) |
| InChI Key | HCMUFRJGPVGTSD-UHFFFAOYSA-N |
| MDL Number | MFCD08444180 |
| Molecular Formula | C13H16ClN3O2 |
| Molecular Weight | 281.7380 |
| SMILES | O=C(N1CCN(C(CCl)=O)CC1)NC2=CC=CC=C2 |
| Synonyms | 4-(chloroacetyl)-N-phenylpiperazine-1-carboxamide,
4-(2-chloroacetyl)-N-phenylpiperazine-1-carboxamide,
923125-02-4,
AC1Q3TEP,
CTK6H5037,
ZINC9738365,
AKOS001295735,
MCULE-6426373047,
NE27991,
EN300-23471,
J-513680,
4-[oxo(piperazin-1-yl)acetyl]morpholine,
775314-84-6,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.74g/mol |
| Monoisotopic Mass | 281.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number