Compound C20H36INO2

2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium iodide

CAS: 54099-11-5

Molecular Formula	`C20H36INO2`
Molecular Weight	449.4 g/mol
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	9
Exact Mass	449.17908
Heavy Atoms	24
Complexity	378.0

Chemical Identifiers

CAS Number	54099-11-5
SMILES	`CC[N+](CC)(CC)CCOC(=O)CC12CC3CC(C1)CC(C3)C2.[I-]`
InChIKey	`NDRIOWGFCRXOSI-UHFFFAOYSA-M`

📖 Product Overview

Compound C20H36INO2 (CAS: 54099-11-5) is a chemical compound with molecular formula C20H36INO2 and molecular weight 449.4 g/mol. Its IUPAC systematic name is 2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium iodide. Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 9 Exact Mass 449.17908 Heavy Atoms 24 Complexity 378.0 InChI Key: NDRIOWGFCRXOSI-UHFFFAOYSA-M. SMILES: CC[N+](CC)(CC)CCOC(=O)CC12CC3CC(C1)CC(C3)C2.[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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