| CAS Number | 1215782-27-6 |
| Catalog Number | AG01DKYB |
| Chemical Name | 4-(Piperazin-1-yl)benzoic acid dihydrochloride |
| IUPAC Name | 4-piperazin-1-ylbenzoic acid;dihydrochloride |
| InChI | InChI=1S/C11H14N2O2.2ClH/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2,(H,14,15);2*1H |
| InChI Key | JIEHDSDPUDKDLX-UHFFFAOYSA-N |
| MDL Number | MFCD08444054 |
| Molecular Formula | C11H16Cl2N2O2 |
| Molecular Weight | 279.1629 |
| SMILES | Cl.Cl.OC(=O)C1=CC=C(C=C1)N1CCNCC1 |
| Synonyms | 354813-11-9,
4-(Piperazin-1-yl)benzoic acid DiHCl,
4-(Piperazin-1-yl)benzoic acid dihydrochloride,
4-(PIPERAZIN-1-YL)BENZOIC ACID 2HCL,
1215782-27-6,
CTK8I3820,
MFCD08444054,
AKOS025147175,
AS-38430,
4- BENZOICACIDDIHYDROCHLORIDE,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.161g/mol |
| Monoisotopic Mass | 278.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number