C27H31N7O.2Br
N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-(1-methylpyridin-1-ium-4-yl)piperazine-1-carboxamide dibromide
Also Known As: SN 8305|Quinolinium, 6-amino-1-methyl-4-((4-(((4-(1-methylpyridinium-4-yl)-1-piperazinyl)carbonyl)amino)phenyl)amino)-, dibromide|N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-(1-methylpyridin-1-ium-4-yl)piperazine-1-carboxamide dibromide
CAS: 81944-15-2
| Molecular Formula | C27H31Br2N7O |
|---|---|
| Molecular Weight | 627.0957 g/mol |
| LogP | -2.8233 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 627.0957 |
| Monoisotopic Mass | 627.0957 |
| Heavy Atoms | 37 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 81944-15-2 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N.[Br-].[Br-] |
| InChIKey | ZUHJSILZGJJLIK-UHFFFAOYSA-N |
Product Overview
C27H31N7O.2Br (CAS 81944-15-2), with molecular formula C27H31Br2N7O and molecular weight 627.0957 g/mol. IUPAC: N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-(1-methylpyridin-1-ium-4-yl)piperazine-1-carboxamide dibromide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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