| CAS Number | 1170128-33-2 |
| Catalog Number | AG019LML |
| Chemical Name | 1-(2-Chlorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride |
| IUPAC Name | 1-(2-chlorophenyl)-2-piperazin-1-ylethanone;dihydrochloride |
| InChI | InChI=1S/C12H15ClN2O.2ClH/c13-11-4-2-1-3-10(11)12(16)9-15-7-5-14-6-8-15;;/h1-4,14H,5-9H2;2*1H |
| InChI Key | XODFOHBXWWFTLQ-UHFFFAOYSA-N |
| MDL Number | MFCD11099403 |
| Molecular Formula | C12H17Cl3N2O |
| Molecular Weight | 311.6352 |
| SMILES | Cl.Cl.ClC1=C(C(CN2CCNCC2)=O)C=CC=C1 |
| Synonyms | 1170128-33-2,
1-(2-chlorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride,
1-(2-chlorophenyl)-2-piperazin-1-ylethanone dihydrochloride,
AC1Q3AD2,
CTK7F8879,
AKOS008090321,
MCULE-9402905581,
NE56900,
EN300-31781,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.631g/mol |
| Monoisotopic Mass | 310.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number