| CAS Number | 1174207-49-8 |
| Catalog Number | AG01E7ZW |
| Chemical Name | 5-(piperazin-1-yl)pyridine-2-carbonitrile hydrochloride |
| IUPAC Name | 5-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride |
| InChI | InChI=1S/C10H12N4.ClH/c11-7-9-1-2-10(8-13-9)14-5-3-12-4-6-14;/h1-2,8,12H,3-6H2;1H |
| InChI Key | XBVQFUBJVOZZIP-UHFFFAOYSA-N |
| MDL Number | MFCD30537686 |
| Molecular Formula | C10H13ClN4 |
| Molecular Weight | 224.69 |
| SMILES | Cl.N#CC1=NC=C(N2CCNCC2)C=C1 |
| Synonyms | 5-(Piperazin-1-yl)pyridine-2-carbonitrile hydrochloride,
1174207-49-8,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.692g/mol |
| Monoisotopic Mass | 224.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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