| CAS Number | 1333898-02-4 |
| Catalog Number | AG01DUC9 |
| Chemical Name | 1-(piperazin-1-yl)phthalazine dihydrochloride |
| IUPAC Name | 1-piperazin-1-ylphthalazine;dihydrochloride |
| InChI | InChI=1S/C12H14N4.2ClH/c1-2-4-11-10(3-1)9-14-15-12(11)16-7-5-13-6-8-16;;/h1-4,9,13H,5-8H2;2*1H |
| InChI Key | GHPGEPPKCBVMCV-UHFFFAOYSA-N |
| MDL Number | MFCD19982346 |
| Molecular Formula | C12H16Cl2N4 |
| Molecular Weight | 287.1882 |
| SMILES | Cl.Cl.C1NCCN(C2=C3C(C=CC=C3)=CN=N2)C1 |
| Synonyms | 1-(piperazin-1-yl)phthalazine dihydrochloride,
1333898-02-4,
AKOS008090841,
MCULE-9430175362,
NE45563,
EN300-77919,
Z1250080928,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.188g/mol |
| Monoisotopic Mass | 286.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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