1,1'-(Hexane-1,6-diyl)bis(4-tert-butylpyridin-1-ium) dibromide
Basic information
- CAS
61369-00-4- Standard SMILES
CC(C)(C)c1cc[n+](CCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1.[Br-].[Br-]- InChIKey
NPSSDMJRCTVRCI-UHFFFAOYSA-L- Molecular formula
- C24H38Br2N2
- Average molar mass
- 514.4 g/mol
- Monoisotopic mass
- 512.14017
Names & identifiers
- Preferred name
- 1,1'-(Hexane-1,6-diyl)bis(4-tert-butylpyridin-1-ium) dibromide
- IUPAC
- 4-tert-butyl-1-[6-(4-tert-butylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
Names & synonyms
CHEMBL164297561369-00-4DTXSID906934401,1'-(Hexane-1,6-diyl)bis(4-tert-butylpyridin-1-ium) dibromide
Database identifiers
- CAS
61369-00-4- PubChem CID
- 53326005
- DTXSID
DTXSID90693440- ChEMBL
CHEMBL1642975
Properties
Computed structural properties
- Topological polar surface area
- 7.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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