Isocurine structure

Isocurine

benzyl-[2-[4-[2-[benzyl(diethyl)azaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium dibromide

CAS: 17172-31-5
Molecular Formula C30H50Br2N4
Molecular Weight 626.6 g/mol
Topological Polar Surface Area 6.5 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 14
Exact Mass 626.23816
Heavy Atoms 36
Complexity 474.0

Chemical Identifiers

CAS Number 17172-31-5
SMILES CC[N+](CC)(CCN1CCN(CC1)CC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3.[Br-].[Br-]
InChIKey QNVXZNYUXXGODN-UHFFFAOYSA-L

📖 Product Overview

Isocurine (CAS: 17172-31-5) is a chemical compound with molecular formula C30H50Br2N4 and molecular weight 626.6 g/mol. Its IUPAC systematic name is benzyl-[2-[4-[2-[benzyl(diethyl)azaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium dibromide. Topological Polar Surface Area 6.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 14 Exact Mass 626.23816 Heavy Atoms 36 Complexity 474.0 InChI Key: QNVXZNYUXXGODN-UHFFFAOYSA-L. SMILES: CC[N+](CC)(CCN1CCN(CC1)CC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3.[Br-].[Br-].

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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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