(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide

CAS: 17444-28-9

Molecular Formula	`C18H26INO3`
Molecular Weight	431.3 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	431.09573
Heavy Atoms	23
Complexity	387.0

Chemical Identifiers

CAS Number	17444-28-9
SMILES	`C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[I-]`
InChIKey	`CVWRJQHABQDGRP-UHFFFAOYSA-M`

📖 Product Overview

(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide (CAS: 17444-28-9) is a chemical compound with molecular formula C18H26INO3 and molecular weight 431.3 g/mol. Its IUPAC systematic name is (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 431.09573 Heavy Atoms 23 Complexity 387.0 InChI Key: CVWRJQHABQDGRP-UHFFFAOYSA-M. SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide.

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