Ammonium, (methylenebis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide
Basic information
- CAS
64049-80-5- Standard SMILES
C[N+](C)(CCO)C(=O)Cc1ccc(Cc2ccc(CC(=O)[N+](C)(C)CCO)cc2)cc1.[Br-].[Br-]- InChIKey
VKHSRKASBJODOM-UHFFFAOYSA-L- Molecular formula
- C25H36Br2N2O4
- Average molar mass
- 588.4 g/mol
- Monoisotopic mass
- 586.10418
Names & identifiers
- Preferred name
- Ammonium, (methylenebis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide
- IUPAC
- 2-hydroxyethyl-[2-[4-[[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]-dimethylazanium dibromide
Names & synonyms
Ammonium, (methylenebis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide64049-80-5(Methylenebis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethylammonium bromide)RefChem:319034DTXSID809823552,2'-[Methylenedi(4,1-phenylene)]bis[N-(2-hydroxyethyl)-N,N-dimethylethanamidium] dibromide
Database identifiers
- CAS
64049-80-5- PubChem CID
- 46929
- DTXSID
DTXSID80982355
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 524
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Compound notes
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