Ammonium, (p-phenylenedimethylene)bis(diethyl(2-hydroxyethyl)-, dibromide

HCID 58752

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Basic information

CAS: 101710-61-6
Standard SMILES: CC[N+](CC)(CCO)Cc1ccc(C[N+](CC)(CC)CCO)cc1.[Br-].[Br-]
InChIKey: YMHJSUFHNFPYCG-UHFFFAOYSA-L
Molecular formula: C20H38Br2N2O2
Average molar mass: 498.3 g/mol
Monoisotopic mass: 496.13

Names & identifiers

Preferred name: Ammonium, (p-phenylenedimethylene)bis(diethyl(2-hydroxyethyl)-, dibromide
IUPAC: [4-[[diethyl(2-hydroxyethyl)azaniumyl]methyl]phenyl]methyl-diethyl-(2-hydroxyethyl)azanium dibromide
English name: AMMONIUM, (p-PHENYLENEDIMETHYLENE)BIS(DIETHYL(2-HYDROXYETHYL)-, DIBROM IDE
Molecular formula: C20H38N2O2.2Br
Molecular weight: 498.34

Names & synonyms

101710-61-6(p-Phenylenedimethylene)bis(diethyl(2-hydroxyethyl)ammonium bromide)AMMONIUM, (p-PHENYLENEDIMETHYLENE)BIS(DIETHYL(2-HYDROXYETHYL)-, DIBROMIDERefChem:319095DTXSID50906523AMMONIUM, (p-PHENYLENEDIMETHYLENE)BIS(DIETHYL(2-HYDROXYETHYL)-, DIBROM IDE[4-[[diethyl(2-hydroxyethyl)azaniumyl]methyl]phenyl]methyl-diethyl-(2-hydroxyethyl)azanium;dibromideN,N'-[1,4-Phenylenebis(methylene)]bis(N,N-diethyl-2-hydroxyethan-1-aminium) dibromide[4-[[diethyl(2-hydroxyethyl)azaniumyl]methyl]phenyl]methyl-diethyl-(2-hydroxyethyl)azanium[4-[[Diethyl(2-hydroxyethyl)azaniumyl]methyl]phenyl]methyl-diethyl-(2-hydroxyethyl)azanium dibromide

Database identifiers

CAS: 101710-61-6
PubChem CID: 58752
DTXSID: DTXSID50906523

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 26
Formal charge: 0
Complexity: 288

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