BENZIMIDAZOLE, 1-((2-(DIETHYLAMINO)ETHOXY)METHYL)-, DIOXALATE

2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylazanium;bis(2-hydroxy-2-oxoacetate)

CAS: 102516-94-9

Molecular Formula	`C18H25N3O9`
Molecular Weight	427.4 g/mol
Topological Polar Surface Area	188.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	427.1591
Heavy Atoms	30
Complexity	311.0

Chemical Identifiers

CAS Number	102516-94-9
SMILES	`CC[NH+](CC)CCOC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O`
InChIKey	`CWADDLWSLKNOHF-UHFFFAOYSA-N`

📖 Product Overview

BENZIMIDAZOLE, 1-((2-(DIETHYLAMINO)ETHOXY)METHYL)-, DIOXALATE (CAS: 102516-94-9) is a chemical compound with molecular formula C18H25N3O9 and molecular weight 427.4 g/mol. Its IUPAC systematic name is 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylazanium;bis(2-hydroxy-2-oxoacetate). Topological Polar Surface Area 188.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 427.1591 Heavy Atoms 30 Complexity 311.0 InChI Key: CWADDLWSLKNOHF-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.C(=O)(C(=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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