(4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride

CAS: 98694-59-8

Molecular Formula	`C15H20ClNO3`
Molecular Weight	297.78 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	297.11316
Heavy Atoms	20
Complexity	339.0

Chemical Identifiers

CAS Number	98694-59-8
SMILES	`CC(=O)C1(CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2.[Cl-]`
InChIKey	`CDIAWKHQHCHXPX-UHFFFAOYSA-N`

📖 Product Overview

(4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride (CAS: 98694-59-8) is a chemical compound with molecular formula C15H20ClNO3 and molecular weight 297.78 g/mol. Its IUPAC systematic name is (4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 297.11316 Heavy Atoms 20 Complexity 339.0 InChI Key: CDIAWKHQHCHXPX-UHFFFAOYSA-N. SMILES: CC(=O)C1(CC[NH+](CC1)C)OC(=O)C2=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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