Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-(diethylamino)ethyl ester, hydrochloride

diethyl-[2-(4-prop-2-enoxy-3,5-dipropylbenzoyl)oxyethyl]azanium chloride

CAS: 100347-75-9

Molecular Formula	`C22H36ClNO3`
Molecular Weight	398.0 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	14
Exact Mass	397.23837
Heavy Atoms	27
Complexity	379.0

Chemical Identifiers

CAS Number	100347-75-9
SMILES	`CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCC[NH+](CC)CC.[Cl-]`
InChIKey	`UNBBKXVLTQMSGI-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS: 100347-75-9) is a chemical compound with molecular formula C22H36ClNO3 and molecular weight 398.0 g/mol. Its IUPAC systematic name is diethyl-[2-(4-prop-2-enoxy-3,5-dipropylbenzoyl)oxyethyl]azanium chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 14 Exact Mass 397.23837 Heavy Atoms 27 Complexity 379.0 InChI Key: UNBBKXVLTQMSGI-UHFFFAOYSA-N. SMILES: CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCC[NH+](CC)CC.[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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