Basic information
- CAS
66967-71-3- Standard SMILES
CC(CCCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)CCCC(C)CCC1C(C)CCCC1(C)C)CCC1C(C)CCCC1(C)C.[Br-].[Br-]- InChIKey
SWDMZDDFLLVNLO-UHFFFAOYSA-L- Molecular formula
- C48H98Br2N2
- Average molar mass
- 863.1 g/mol
- Monoisotopic mass
- 860.60968
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis(2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl)bis(dimethyl-, dibromide
- IUPAC
- [2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-[6-[[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Names & synonyms
66967-71-3Ammonium, hexamethylenebis(2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl)bis(dimethyl-, dibromideRefChem:319387DTXSID40985706N~1~,N~6~-Bis[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
66967-71-3- PubChem CID
- 48636
- DTXSID
DTXSID40985706
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 25
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 813
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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