Ammonium, pentamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrate

HCID 48046

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Basic information

CAS: 66827-13-2
Standard SMILES: CC1=C(CCC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)CCC2=C(C)CCCC2(C)C)C(C)(C)CCC1.[Br-].[Br-]
InChIKey: LHQKSQBWOAFDNE-UHFFFAOYSA-L
Molecular formula: C35H68Br2N2
Average molar mass: 676.7 g/mol
Monoisotopic mass: 674.37493

Names & identifiers

Preferred name: Ammonium, pentamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrate
IUPAC: 5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide

Names & synonyms

66827-13-2Ammonium, pentamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrateRefChem:319453DTXSID60985384N~1~,N~1~,N~5~,N~5~-Tetramethyl-N~1~,N~5~-bis[4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]pentane-1,5-bis(aminium) dibromide

Database identifiers

CAS: 66827-13-2
PubChem CID: 48046
DTXSID: DTXSID60985384

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 14
Heavy atoms: 39
Formal charge: 0
Complexity: 726

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