| CAS Number | 2059988-07-5 |
| Catalog Number | AG01BQZN |
| Chemical Name | 1-[2-(1H-pyrazol-1-yl)ethyl]piperazine dihydrochloride |
| IUPAC Name | 1-(2-pyrazol-1-ylethyl)piperazine;dihydrochloride |
| InChI | InChI=1S/C9H16N4.2ClH/c1-2-11-13(5-1)9-8-12-6-3-10-4-7-12;;/h1-2,5,10H,3-4,6-9H2;2*1H |
| InChI Key | DVGMPGOOUMIWCQ-UHFFFAOYSA-N |
| MDL Number | MFCD30502155 |
| Molecular Formula | C9H18Cl2N4 |
| Molecular Weight | 253.1720 |
| SMILES | Cl.Cl.C(N1CCNCC1)CN1N=CC=C1 |
| Synonyms | 1-[2-(1H-pyrazol-1-yl)ethyl]piperazine dihydrochloride,
2059988-07-5,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.171g/mol |
| Monoisotopic Mass | 252.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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