Basic information
- CAS
66264-45-7- Standard SMILES
CC(C)(C)c1ccc(OCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCOc2ccc(C(C)(C)C)cc2)cc1.[Br-].[Br-]- InChIKey
DUHWEHNSLGDTMT-UHFFFAOYSA-L- Molecular formula
- C38H66Br2N2O2
- Average molar mass
- 742.7 g/mol
- Monoisotopic mass
- 740.3491
Names & identifiers
- Preferred name
- 1,6-Hexanediaminium, N,N'-bis(4-(4-(1,1-dimethylethyl)phenoxy)butyl)-N,N,N',N'-tetramethyl-, dibromide
- IUPAC
- 4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Names & synonyms
66264-45-71,6-Hexanediaminium, N,N'-bis(4-(4-(1,1-dimethylethyl)phenoxy)butyl)-N,N,N',N'-tetramethyl-, dibromideDTXSID30984788N~1~,N~6~-Bis[4-(4-tert-butylphenoxy)butyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
66264-45-7- PubChem CID
- 181790
- DTXSID
DTXSID30984788
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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