| CAS Number | 770699-74-6 |
| Catalog Number | AG01A8LJ |
| Chemical Name | 2-Amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one |
| IUPAC Name | 2-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone |
| InChI | InChI=1S/C12H16ClN3O/c13-10-1-3-11(4-2-10)15-5-7-16(8-6-15)12(17)9-14/h1-4H,5-9,14H2 |
| InChI Key | TZTUJDIMXLUCTG-UHFFFAOYSA-N |
| MDL Number | MFCD11164468 |
| Molecular Formula | C12H16ClN3O |
| Molecular Weight | 253.7279 |
| SMILES | NCC(N1CCN(C2=CC=C(Cl)C=C2)CC1)=O |
| Synonyms | 2-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one,
770699-74-6,
AC1Q53KT,
ZINC36723754,
AKOS009292430,
NE32302,
EN300-61918,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.73g/mol |
| Monoisotopic Mass | 253.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number