| CAS Number | 1998216-00-4 |
| Catalog Number | AG019EZB |
| Chemical Name | 3-(Piperazin-1-yl)benzoic acid hydrochloride |
| IUPAC Name | 3-piperazin-1-ylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C11H14N2O2.ClH/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2,(H,14,15);1H |
| InChI Key | WUIPIWUUGYGNDI-UHFFFAOYSA-N |
| MDL Number | MFCD30187530 |
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.7020 |
| SMILES | OC(=O)c1cccc(c1)N1CCNCC1.Cl |
| Synonyms | 3-(Piperazin-1-yl)benzoic acid hydrochloride,
1998216-00-4,
KS-00000TQF,
MFCD30187530,
3-(Piperazin-1-yl)benzoic acid HCl,
AK544526,
DS-19325,
CS-0059780,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.703g/mol |
| Monoisotopic Mass | 242.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number