| CAS Number | 1909308-46-8 |
| Catalog Number | AG01C4P0 |
| Chemical Name | 1-[(1-tert-butyl-1H-pyrazol-4-yl)methyl]piperazine hydrochloride |
| IUPAC Name | 1-[(1-tert-butylpyrazol-4-yl)methyl]piperazine;hydrochloride |
| InChI | InChI=1S/C12H22N4.ClH/c1-12(2,3)16-10-11(8-14-16)9-15-6-4-13-5-7-15;/h8,10,13H,4-7,9H2,1-3H3;1H |
| InChI Key | PJYGXNJLWDLWBP-UHFFFAOYSA-N |
| MDL Number | MFCD29906954 |
| Molecular Formula | C12H23ClN4 |
| Molecular Weight | 258.7908 |
| SMILES | Cl.CC(N1N=CC(CN2CCNCC2)=C1)(C)C |
| Synonyms | 1-[(1-tert-butyl-1H-pyrazol-4-yl)methyl]piperazine hydrochloride,
1909308-46-8,
AKOS026260619,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.794g/mol |
| Monoisotopic Mass | 258.161g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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