Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride

CAS: 16785-30-1

Molecular Formula	`C22H31Cl2N3O4`
Molecular Weight	472.4 g/mol
Topological Polar Surface Area	66.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	471.16916
Heavy Atoms	31
Complexity	484.0

Chemical Identifiers

CAS Number	16785-30-1
SMILES	`COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3.[Cl-].[Cl-]`
InChIKey	`CIWJKMWPLBHARK-UHFFFAOYSA-N`

📖 Product Overview

Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride (CAS: 16785-30-1) is a chemical compound with molecular formula C22H31Cl2N3O4 and molecular weight 472.4 g/mol. Its IUPAC systematic name is 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride. Topological Polar Surface Area 66.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 471.16916 Heavy Atoms 31 Complexity 484.0 InChI Key: CIWJKMWPLBHARK-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3.[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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