Acetic acid, phenoxy-, alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester, hydrochloride

dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenylpentyl]azanium chloride

CAS: 13087-54-2

Molecular Formula	`C21H28ClNO3`
Molecular Weight	377.9 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	377.17578
Heavy Atoms	26
Complexity	387.0

Chemical Identifiers

CAS Number	13087-54-2
SMILES	`CCC(CC[NH+](C)C)(C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2.[Cl-]`
InChIKey	`VPYDCEPWYIFMMX-UHFFFAOYSA-N`

📖 Product Overview

Acetic acid, phenoxy-, alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester, hydrochloride (CAS: 13087-54-2) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.9 g/mol. Its IUPAC systematic name is dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenylpentyl]azanium chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 377.17578 Heavy Atoms 26 Complexity 387.0 InChI Key: VPYDCEPWYIFMMX-UHFFFAOYSA-N. SMILES: CCC(CC[NH+](C)C)(C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2.[Cl-].

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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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