[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride

CAS: 67032-38-6

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	10
Exact Mass	397.23837
Heavy Atoms	27
Complexity	408.0

Chemical Identifiers

CAS Number	67032-38-6
SMILES	`CCCCOC1=CC=C(C=C1)C(=O)OCC(C)(C)C[NH+]2CCC(CC2)C.[Cl-]`
InChIKey	`WZLZEIWPOZLUQT-UHFFFAOYSA-N`

📖 Product Overview

[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride (CAS: 67032-38-6) is a chemical compound with molecular formula C22H36ClNO3 and molecular weight 398.0 g/mol. Its IUPAC systematic name is [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 397.23837 Heavy Atoms 27 Complexity 408.0 InChI Key: WZLZEIWPOZLUQT-UHFFFAOYSA-N. SMILES: CCCCOC1=CC=C(C=C1)C(=O)OCC(C)(C)C[NH+]2CCC(CC2)C.[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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📚 Academic Support

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