Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride

[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride

CAS: 85868-50-4

Molecular Formula	`C20H26Cl2F3N3O`
Molecular Weight	452.3 g/mol
Topological Polar Surface Area	44.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	451.1405
Heavy Atoms	29
Complexity	433.0

Chemical Identifiers

CAS Number	85868-50-4
SMILES	`C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)[NH3+])C3=CC=CC(=C3)C(F)(F)F.[Cl-].[Cl-]`
InChIKey	`MKHHQTIDGSLBJD-UHFFFAOYSA-N`

📖 Product Overview

Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride (CAS: 85868-50-4) is a chemical compound with molecular formula C20H26Cl2F3N3O and molecular weight 452.3 g/mol. Its IUPAC systematic name is [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride. Topological Polar Surface Area 44.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 451.1405 Heavy Atoms 29 Complexity 433.0 InChI Key: MKHHQTIDGSLBJD-UHFFFAOYSA-N. SMILES: C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)[NH3+])C3=CC=CC(=C3)C(F)(F)F.[Cl-].[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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