Basic information
- CAS
64049-57-6- Standard SMILES
C[N+](C)(CCO)CC(=O)c1ccc(Oc2ccc(C(=O)C[N+](C)(C)CCO)cc2)cc1.[Br-].[Br-]- InChIKey
DCJMMVBSNRMILI-UHFFFAOYSA-L- Molecular formula
- C24H34Br2N2O5
- Average molar mass
- 590.3 g/mol
- Monoisotopic mass
- 588.08345
Names & identifiers
- Preferred name
- Ammonium, (oxybis(p-phenylylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide
- IUPAC
- 2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]phenoxy]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Names & synonyms
Ammonium, (oxybis(p-phenylylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide64049-57-6(Oxybis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethylammonium bromide)RefChem:319055DTXSID20982334N,N'-{Oxybis[(4,1-phenylene)(2-oxoethane-2,1-diyl)]}bis(2-hydroxy-N,N-dimethylethan-1-aminium) dibromideN,N'-{Oxybis[4,1-phenylene(2-oxoethane-2,1-diyl)]}bis(2-hydroxy-N,N-dimethylethan-1-aminium) dibromide
Database identifiers
- CAS
64049-57-6- PubChem CID
- 46887
- DTXSID
DTXSID20982334
Properties
Computed structural properties
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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