2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride

CAS: 102516-95-0

Molecular Formula	`C22H31Cl2N3O2`
Molecular Weight	440.4 g/mol
Topological Polar Surface Area	42.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	439.17932
Heavy Atoms	29
Complexity	432.0

Chemical Identifiers

CAS Number	102516-95-0
SMILES	`CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC(=C(C=C3)OC)OC.[Cl-].[Cl-]`
InChIKey	`YCDWXLPJYMLXFF-UHFFFAOYSA-N`

📖 Product Overview

2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride (CAS: 102516-95-0) is a chemical compound with molecular formula C22H31Cl2N3O2 and molecular weight 440.4 g/mol. Its IUPAC systematic name is 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride. Topological Polar Surface Area 42.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 439.17932 Heavy Atoms 29 Complexity 432.0 InChI Key: YCDWXLPJYMLXFF-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC(=C(C=C3)OC)OC.[Cl-].[Cl-].

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride.

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