| CAS Number | 100939-98-8 |
| Catalog Number | AG01B77L(AGN-PC-0OQ75Y) |
| Chemical Name | 1-(2-methoxybenzoyl)piperazine hydrochloride |
| IUPAC Name | (2-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C12H16N2O2.ClH/c1-16-11-5-3-2-4-10(11)12(15)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H |
| InChI Key | FGQQUOJYSYJORX-UHFFFAOYSA-N |
| MDL Number | MFCD14583088 |
| Molecular Formula | C12H17ClN2O2 |
| Molecular Weight | 256.7286 |
| SMILES | Cl.COC1=C(C(=O)N2CCNCC2)C=CC=C1 |
| Synonyms | 100939-98-8,
1-(2-methoxybenzoyl)piperazine hydrochloride,
SCHEMBL594012,
MFCD14583088,
AKOS025658706,
(2-Methoxyphenyl)(piperazin-1-yl)methanone HCl,
(2-Methoxyphenyl)(piperazin-1-yl)methanone hydrochloride,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.73g/mol |
| Monoisotopic Mass | 256.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number