2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide

CAS: 54099-12-6

Molecular Formula	`C19H34INO2`
Molecular Weight	435.4 g/mol
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	435.16342
Heavy Atoms	23
Complexity	388.0

Chemical Identifiers

CAS Number	54099-12-6
SMILES	`CC[N+](C)(C)CC(C)OC(=O)CC12CC3CC(C1)CC(C3)C2.[I-]`
InChIKey	`KBIQABKMSONMIL-UHFFFAOYSA-M`

📖 Product Overview

2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide (CAS: 54099-12-6) is a chemical compound with molecular formula C19H34INO2 and molecular weight 435.4 g/mol. Its IUPAC systematic name is 2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide. Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 435.16342 Heavy Atoms 23 Complexity 388.0 InChI Key: KBIQABKMSONMIL-UHFFFAOYSA-M. SMILES: CC[N+](C)(C)CC(C)OC(=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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