| CAS Number | 853745-58-1 |
| Catalog Number | AG00IDNB(AGN-PC-0V05YA) |
| Chemical Name | Piperazine, 1-(3,4-difluorophenyl)-, monohydrochloride |
| IUPAC Name | 1-(3,4-difluorophenyl)piperazine;hydrochloride |
| InChI | InChI=1S/C10H12F2N2.ClH/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H |
| InChI Key | TZXQNQUWTAFXDZ-UHFFFAOYSA-N |
| MDL Number | MFCD22209860 |
| Molecular Formula | C10H13ClF2N2 |
| Molecular Weight | 234.6734 |
| SMILES | Fc1ccc(cc1F)N1CCNCC1.Cl |
| Synonyms | 853745-58-1,
1-(3,4-Difluoro-phenyl)-piperazine HCl,
1-(3,4-Difluoro-phenyl)-piperazine hydrochloride,
MFCD22209860,
AKOS027255404,
AM805723,
CS-0037798,
1-(3,4-Difluorophenyl)piperazine hydrochloride,
Piperazine, 1-(3,4-difluorophenyl)-, monohydrochloride,
1-(3,4-difluorophenyl)piperazine;hydrochloride,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.675g/mol |
| Monoisotopic Mass | 234.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number