Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide

HCID 54010

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Basic information

CAS: 77985-01-4
Standard SMILES: CC[N+](CC)(CCCO)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](CC)(CC)CCCO)cc2)cc1.[Br-].[Br-]
InChIKey: DMJRBYKPCIQLSL-UHFFFAOYSA-L
Molecular formula: C30H46Br2N2O4
Average molar mass: 658.5 g/mol
Monoisotopic mass: 656.18243

Names & identifiers

Preferred name: Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide
IUPAC: [2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide
English name: 4,4'-Biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)ammonium) dibromide
Molecular formula: C30H46N2O4.2Br
Molecular weight: 658.511

Names & synonyms

Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide77985-01-44,4'-Biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)ammonium) dibromideRefChem:319138DTXSID009992232,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[N,N-diethyl-N-(3-hydroxypropyl)ethanamidium] dibromide

Database identifiers

CAS: 77985-01-4
PubChem CID: 54010
DTXSID: DTXSID00999223

Properties

Computed structural properties

Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 15
Heavy atoms: 38
Formal charge: 0
Complexity: 587

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