| CAS Number | 1333258-10-8 |
| Catalog Number | AG00HSVO(AGN-PC-0WR1VK) |
| Chemical Name | 2-(Piperazin-1-yl)quinolin-3-carbonitrile Hydrochloride |
| IUPAC Name | 2-piperazin-1-ylquinoline-3-carbonitrile;hydrochloride |
| InChI | InChI=1S/C14H14N4.ClH/c15-10-12-9-11-3-1-2-4-13(11)17-14(12)18-7-5-16-6-8-18;/h1-4,9,16H,5-8H2;1H |
| InChI Key | MVDQSCZHYGBJOP-UHFFFAOYSA-N |
| MDL Number | MFCD20037065 |
| Molecular Formula | C14H15ClN4 |
| Molecular Weight | 274.7487 |
| SMILES | N#Cc1cc2ccccc2nc1N1CCNCC1.Cl |
| Synonyms | 2-(Piperazin-1-yl)quinolin-3-carbonitrile Hydrochloride,
1333258-10-8,
MFCD20037065,
OR309379,
T6369,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.752g/mol |
| Monoisotopic Mass | 274.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number