Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydroxycyclooctaneacetate

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

CAS: 101317-77-5

Molecular Formula	`C23H44BrNO3`
Molecular Weight	462.5 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	461.25046
Heavy Atoms	28
Complexity	433.0

Chemical Identifiers

CAS Number	101317-77-5
SMILES	`CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCCCC2)O.[Br-]`
InChIKey	`MNSXOSMYQISKNS-UHFFFAOYSA-M`

📖 Product Overview

Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydroxycyclooctaneacetate (CAS: 101317-77-5) is a chemical compound with molecular formula C23H44BrNO3 and molecular weight 462.5 g/mol. Its IUPAC systematic name is 2-[2-cyclohexyl-2-(1-hydroxycyclooctyl)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 461.25046 Heavy Atoms 28 Complexity 433.0 InChI Key: MNSXOSMYQISKNS-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCCCC2)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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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📚 Academic Support

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