Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate
Basic information
- CAS
72017-47-1- Standard SMILES
CC1=C(CC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCC(C)C2=C(C)CCCC2(C)C)C(C)(C)CCC1.[Br-].[Br-]- InChIKey
GSBPBVBSTZZEIA-UHFFFAOYSA-L- Molecular formula
- C36H70Br2N2
- Average molar mass
- 690.8 g/mol
- Monoisotopic mass
- 688.39058
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate
- IUPAC
- 6-[dimethyl-[2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide
Names & synonyms
72017-47-1Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrateRefChem:319385DTXSID60992699N~1~,N~1~,N~6~,N~6~-Tetramethyl-N~1~-[2-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)propyl]-N~6~-[3-(2,6,6-trimethylcyclohex-1-en-1-yl)butyl]hexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
72017-47-1- PubChem CID
- 51488
- DTXSID
DTXSID60992699
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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