DTXSID00925789

1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butan-1-one chloride

CAS: 12710-19-9

Molecular Formula	`C21H26ClFN2O2`
Molecular Weight	392.9 g/mol
Topological Polar Surface Area	34.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	392.1667
Heavy Atoms	27
Complexity	432.0

Chemical Identifiers

CAS Number	12710-19-9
SMILES	`COC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]`
InChIKey	`UGBLISDIHDMHJX-UHFFFAOYSA-N`

📖 Product Overview

DTXSID00925789 (CAS: 12710-19-9) is a chemical compound with molecular formula C21H26ClFN2O2 and molecular weight 392.9 g/mol. Its IUPAC systematic name is 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butan-1-one chloride. Topological Polar Surface Area 34.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 392.1667 Heavy Atoms 27 Complexity 432.0 InChI Key: UGBLISDIHDMHJX-UHFFFAOYSA-N. SMILES: COC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[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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