2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide

CAS: 69844-09-3

Molecular Formula	`C23H31IN2O3`
Molecular Weight	510.4 g/mol
Topological Polar Surface Area	46.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	510.13794
Heavy Atoms	29
Complexity	603.0

Chemical Identifiers

CAS Number	69844-09-3
SMILES	`CC[N+](CC)(CC)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[I-]`
InChIKey	`YMLLWKRYSLIPPX-UHFFFAOYSA-M`

📖 Product Overview

2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide (CAS: 69844-09-3) is a chemical compound with molecular formula C23H31IN2O3 and molecular weight 510.4 g/mol. Its IUPAC systematic name is 2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide. Topological Polar Surface Area 46.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 510.13794 Heavy Atoms 29 Complexity 603.0 InChI Key: YMLLWKRYSLIPPX-UHFFFAOYSA-M. SMILES: CC[N+](CC)(CC)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[I-].

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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-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide.

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