Hexamethylenebis(trimethylammonium benzoate)

trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibenzoate

CAS: 103350-60-3

Molecular Formula	`C26H40N2O4`
Molecular Weight	444.6 g/mol
Topological Polar Surface Area	80.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	444.2988
Heavy Atoms	32
Complexity	219.0

Chemical Identifiers

CAS Number	103350-60-3
SMILES	`C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]`
InChIKey	`PQFBXTALPNNDKO-UHFFFAOYSA-L`

📖 Product Overview

Hexamethylenebis(trimethylammonium benzoate) (CAS: 103350-60-3) is a chemical compound with molecular formula C26H40N2O4 and molecular weight 444.6 g/mol. Its IUPAC systematic name is trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibenzoate. Topological Polar Surface Area 80.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 444.2988 Heavy Atoms 32 Complexity 219.0 InChI Key: PQFBXTALPNNDKO-UHFFFAOYSA-L. SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=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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