Ammonium, tetradecamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, sesquihydrate

HCID 48063

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Basic information

CAS: 66827-27-8
Standard SMILES: CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CCCCCCCCCCCCCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C.[Br-].[Br-]
InChIKey: VDVFLJODVMUFHB-UHFFFAOYSA-L
Molecular formula: C44H90Br2N2
Average molar mass: 807 g/mol
Monoisotopic mass: 804.54708

Names & identifiers

Preferred name: Ammonium, tetradecamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, sesquihydrate
IUPAC: 14-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]tetradecyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide

Names & synonyms

66827-27-8Tetradecamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium bromide)Ammonium, tetradecamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, sesquihydrateRefChem:319461DTXSID90985392N~1~,N~1~,N~14~,N~14~-Tetramethyl-N~1~,N~14~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]tetradecane-1,14-bis(aminium) dibromide

Database identifiers

CAS: 66827-27-8
PubChem CID: 48063
DTXSID: DTXSID90985392

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 23
Heavy atoms: 48
Formal charge: 0
Complexity: 728

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