2-dodecylisoquinolin-2-ium4-methylbenzenesulfonate

2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate

CAS: 5412-37-3

Molecular Formula	`C28H39NO3S`
Molecular Weight	469.7 g/mol
Topological Polar Surface Area	69.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	11
Exact Mass	469.26508
Heavy Atoms	33
Complexity	456.0

Chemical Identifiers

CAS Number	5412-37-3
SMILES	`CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]`
InChIKey	`SZDIFSKUQQLAMT-UHFFFAOYSA-M`

📖 Product Overview

2-dodecylisoquinolin-2-ium4-methylbenzenesulfonate (CAS: 5412-37-3) is a chemical compound with molecular formula C28H39NO3S and molecular weight 469.7 g/mol. Its IUPAC systematic name is 2-dodecylisoquinolin-2-ium;4-methylbenzenesulfonate. Topological Polar Surface Area 69.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 11 Exact Mass 469.26508 Heavy Atoms 33 Complexity 456.0 InChI Key: SZDIFSKUQQLAMT-UHFFFAOYSA-M. SMILES: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-].

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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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