| CAS Number | 1049766-99-5 |
| Catalog Number | AG019P84 |
| Chemical Name | 2-chloro-1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one hydrochloride |
| IUPAC Name | 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;hydrochloride |
| InChI | InChI=1S/C11H15ClN2OS.ClH/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10;/h1-2,7H,3-6,8-9H2;1H |
| InChI Key | MPVCJQMGKVGDIK-UHFFFAOYSA-N |
| MDL Number | MFCD07838434 |
| Molecular Formula | C11H16Cl2N2OS |
| Molecular Weight | 295.2285 |
| SMILES | Cl.ClCC(N1CCN(CC2SC=CC=2)CC1)=O |
| Synonyms | 1049766-99-5,
2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethan-1-one hydrochloride,
1-(chloroacetyl)-4-(thien-2-ylmethyl)piperazine hydrochloride,
AC1Q3BFU,
CTK6H5114,
AKOS030639131,
MCULE-3720619203,
NE17712,
EN300-22600,
Z166605372,
2-chloro-1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one hydrochloride,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.222g/mol |
| Monoisotopic Mass | 294.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number