N-(p-Ethoxyphenyl)-N'-(p-allyloxyphenyl)-N''-benzyl guanidine hydrobromide

[N'-benzyl-N-(4-ethoxyphenyl)carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide

CAS: 69415-40-3

Molecular Formula	`C25H28BrN3O2`
Molecular Weight	482.4 g/mol
Topological Polar Surface Area	59.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	481.1365
Heavy Atoms	31
Complexity	503.0

Chemical Identifiers

CAS Number	69415-40-3
SMILES	`CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)[NH2+]C3=CC=C(C=C3)OCC=C.[Br-]`
InChIKey	`DKUKPMNKPFXUMP-UHFFFAOYSA-N`

📖 Product Overview

N-(p-Ethoxyphenyl)-N'-(p-allyloxyphenyl)-N''-benzyl guanidine hydrobromide (CAS: 69415-40-3) is a chemical compound with molecular formula C25H28BrN3O2 and molecular weight 482.4 g/mol. Its IUPAC systematic name is [N'-benzyl-N-(4-ethoxyphenyl)carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide. Topological Polar Surface Area 59.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 481.1365 Heavy Atoms 31 Complexity 503.0 InChI Key: DKUKPMNKPFXUMP-UHFFFAOYSA-N. SMILES: CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)[NH2+]C3=CC=C(C=C3)OCC=C.[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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📚 Academic Support

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