Ammonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide
Basic information
- CAS
28043-32-5- Standard SMILES
C[N+](C)(CC(=O)c1ccc(C(=O)C[N+](C)(C)CC2CCCCC2O)cc1)CC1CCCCC1O.[Br-].[Br-]- InChIKey
BUHRQXSYVRLDET-UHFFFAOYSA-L- Molecular formula
- C28H46Br2N2O4
- Average molar mass
- 634.5 g/mol
- Monoisotopic mass
- 632.18243
Names & identifiers
- Preferred name
- Ammonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide
- IUPAC
- (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Names & synonyms
28043-32-5(Terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethylammonium) dibromideAmmonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromideRefChem:319125DTXSID009507332,2'-(1,4-Phenylene)bis{N-[(2-hydroxycyclohexyl)methyl]-N,N-dimethyl-2-oxoethan-1-aminium} dibromide
Database identifiers
- CAS
28043-32-5- PubChem CID
- 34121
- DTXSID
DTXSID00950733
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 626
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Compound notes
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