| CAS Number | 1333253-23-8 |
| Catalog Number | AG00HSVI(AGN-PC-0WR1V7) |
| Chemical Name | 8-Bromo-2-methyl-4-(piperazin-1-yl)quinoline Hydrochloride |
| IUPAC Name | 8-bromo-2-methyl-4-piperazin-1-ylquinoline;hydrochloride |
| InChI | InChI=1S/C14H16BrN3.ClH/c1-10-9-13(18-7-5-16-6-8-18)11-3-2-4-12(15)14(11)17-10;/h2-4,9,16H,5-8H2,1H3;1H |
| InChI Key | HQTZTHDDNIEPPR-UHFFFAOYSA-N |
| MDL Number | MFCD20036780 |
| Molecular Formula | C14H17BrClN3 |
| Molecular Weight | 342.6619 |
| SMILES | Cc1cc(N2CCNCC2)c2c(n1)c(Br)ccc2.Cl |
| Synonyms | 8-Bromo-2-methyl-4-(piperazin-1-yl)quinoline Hydrochloride,
1333253-23-8,
MFCD20036780,
OR309378,
T6362,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.665g/mol |
| Monoisotopic Mass | 341.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number