3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide

[3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-oxopropyl]-diethyl-methylazanium diiodide

CAS: 102585-69-3

Molecular Formula	`C17H35I2N3O`
Molecular Weight	551.3 g/mol
Topological Polar Surface Area	20.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	551.087
Heavy Atoms	23
Complexity	360.0

Chemical Identifiers

CAS Number	102585-69-3
SMILES	`CC[N+](C)(CC)CCC(=O)N1CC2CCCC(C1)[N+]2(C)C.[I-].[I-]`
InChIKey	`NHCJKXBBEHRYBN-UHFFFAOYSA-L`

📖 Product Overview

3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide (CAS: 102585-69-3) is a chemical compound with molecular formula C17H35I2N3O and molecular weight 551.3 g/mol. Its IUPAC systematic name is [3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-oxopropyl]-diethyl-methylazanium diiodide. Topological Polar Surface Area 20.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 551.087 Heavy Atoms 23 Complexity 360.0 InChI Key: NHCJKXBBEHRYBN-UHFFFAOYSA-L. SMILES: CC[N+](C)(CC)CCC(=O)N1CC2CCCC(C1)[N+]2(C)C.[I-].[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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide.

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