Ammonium, hexamethylenebis((3-((2,6-dimethyl-2-isobutyl)cyclohexyl)-1-methyl)propyl)bis(dimethyl-, dibromide, sesquihydrate
Basic information
- CAS
66967-70-2- Standard SMILES
CC(C)CC1(C)CCCC(C)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)CC(C)C.[Br-].[Br-]- InChIKey
XWUVAZPSDKWXNG-UHFFFAOYSA-L- Molecular formula
- C42H86Br2N2
- Average molar mass
- 779 g/mol
- Monoisotopic mass
- 776.51578
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((3-((2,6-dimethyl-2-isobutyl)cyclohexyl)-1-methyl)propyl)bis(dimethyl-, dibromide, sesquihydrate
- IUPAC
- 4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-[6-[4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Names & synonyms
66967-70-2Ammonium, hexamethylenebis((3-((2,6-dimethyl-2-isobutyl)cyclohexyl)-1-methyl)propyl)bis(dimethyl-, dibromide, sesquihydrateRefChem:319372DTXSID80985705N~1~,N~6~-Bis{4-[2,6-dimethyl-2-(2-methylpropyl)cyclohexyl]butan-2-yl}-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
66967-70-2- PubChem CID
- 48634
- DTXSID
DTXSID80985705
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 732
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Compound notes
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