(p-Methoxyphenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride

HCID 36902

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Basic information

CAS: 34727-33-8
Standard SMILES: COc1ccc(OCC(=O)OCC[NH+](C)C)cc1.[Cl-]
InChIKey: NEZNJUSMHRVYMO-UHFFFAOYSA-N
Molecular formula: C13H20ClNO4
Average molar mass: 289.75 g/mol
Monoisotopic mass: 289.1080858

Overview

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Names & identifiers

Preferred name: (p-Methoxyphenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride
IUPAC: 2-[2-(4-methoxyphenoxy)acetyl]oxyethyl-dimethylazanium chloride

Names & synonyms

(p-Methoxyphenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochlorideN,N-Dimethylaminoethyl p-methoxyphenoxyacetate hydrochlorideACETIC ACID, (p-METHOXYPHENOXY)-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE2-[2-(4-methoxyphenoxy)acetyl]oxyethyl-dimethylazanium;chloride

Database identifiers

CAS: 34727-33-8
PubChem CID: 36902

Properties

Computed structural properties

Topological polar surface area: 49.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 237

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