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

CAS: 100916-78-7

Molecular Formula	`C21H40BrNO3`
Molecular Weight	434.5 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	433.21915
Heavy Atoms	26
Complexity	407.0

Chemical Identifiers

CAS Number	100916-78-7
SMILES	`CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)O.[Br-]`
InChIKey	`WADCYOUWAGZWFX-UHFFFAOYSA-M`

📖 Product Overview

2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium bromide (CAS: 100916-78-7) is a chemical compound with molecular formula C21H40BrNO3 and molecular weight 434.5 g/mol. Its IUPAC systematic name is 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)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 433.21915 Heavy Atoms 26 Complexity 407.0 InChI Key: WADCYOUWAGZWFX-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)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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📚 Academic Support

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