Hexamethylenebis(trimethylammonium p-nitrobenzoate)

bis(4-nitrobenzoate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

CAS: 103052-17-1

Molecular Formula	`C26H38N4O8`
Molecular Weight	534.6 g/mol
Topological Polar Surface Area	172.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	534.269
Heavy Atoms	38
Complexity	306.0

Chemical Identifiers

CAS Number	103052-17-1
SMILES	`C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]`
InChIKey	`ABFPILRCTJLYDT-UHFFFAOYSA-L`

📖 Product Overview

Hexamethylenebis(trimethylammonium p-nitrobenzoate) (CAS: 103052-17-1) is a chemical compound with molecular formula C26H38N4O8 and molecular weight 534.6 g/mol. Its IUPAC systematic name is bis(4-nitrobenzoate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium. Topological Polar Surface Area 172.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 534.269 Heavy Atoms 38 Complexity 306.0 InChI Key: ABFPILRCTJLYDT-UHFFFAOYSA-L. SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1C(=O)[O-])[N+](=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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