Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxycyclopentyl)cyclohexaneacetate

2-[2-cyclohexyl-2-(1-hydroxycyclopentyl)acetyl]oxyethyl-diethyl-methylazanium bromide

CAS: 100210-92-2

Molecular Formula	`C20H38BrNO3`
Molecular Weight	420.4 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	419.20352
Heavy Atoms	25
Complexity	394.0

Chemical Identifiers

CAS Number	100210-92-2
SMILES	`CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCC2)O.[Br-]`
InChIKey	`SOYHSIJZNXLFTA-UHFFFAOYSA-M`

📖 Product Overview

Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxycyclopentyl)cyclohexaneacetate (CAS: 100210-92-2) is a chemical compound with molecular formula C20H38BrNO3 and molecular weight 420.4 g/mol. Its IUPAC systematic name is 2-[2-cyclohexyl-2-(1-hydroxycyclopentyl)acetyl]oxyethyl-diethyl-methylazanium bromide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 419.20352 Heavy Atoms 25 Complexity 394.0 InChI Key: SOYHSIJZNXLFTA-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCC2)O.[Br-].

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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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