Quinine propyl bromide

(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide

CAS: 63717-12-4

Molecular Formula	`C23H31BrN2O2`
Molecular Weight	447.4 g/mol
Topological Polar Surface Area	42.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	446.1569
Heavy Atoms	28
Complexity	527.0

Chemical Identifiers

CAS Number	63717-12-4
SMILES	`CCC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-]`
InChIKey	`DSXBQRQLQMPKOA-XJXJHPFJSA-M`

📖 Product Overview

Quinine propyl bromide (CAS: 63717-12-4) is a chemical compound with molecular formula C23H31BrN2O2 and molecular weight 447.4 g/mol. Its IUPAC systematic name is (S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide. Topological Polar Surface Area 42.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 446.1569 Heavy Atoms 28 Complexity 527.0 InChI Key: DSXBQRQLQMPKOA-XJXJHPFJSA-M. SMILES: CCC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-].

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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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