| CAS Number | 1269393-85-2 |
| Catalog Number | AG00J168(AGN-PC-0WB6C7) |
| Chemical Name | Methyl 4-piperazin-1-ylbenzoate hydrochloride |
| IUPAC Name | methyl 4-piperazin-1-ylbenzoate;hydrochloride |
| InChI | InChI=1S/C12H16N2O2.ClH/c1-16-12(15)10-2-4-11(5-3-10)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H |
| InChI Key | FJEJVWSDCKGXPJ-UHFFFAOYSA-N |
| MDL Number | MFCD13193897 |
| Molecular Formula | C12H17ClN2O2 |
| Molecular Weight | 256.7286 |
| SMILES | O=C(OC)C1=CC=C(N2CCNCC2)C=C1.[H]Cl |
| Synonyms | methyl 4-piperazin-1-ylbenzoate hydrochloride,
1269393-85-2,
methyl 4-(1-piperazinyl)benzoate hydrochloride,
ZX-CM003104,
MFCD13193897,
AKOS027426334,
MCULE-2026564988,
|
| Complexity | 231 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.73g/mol |
| Monoisotopic Mass | 256.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number