Ammonium, hexamethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, dibromide, dihydrate

HCID 48640

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Basic information

CAS: 66967-73-5
Standard SMILES: CC1=C(CCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)CCC2=C(C)CCCC2(C)C)C(C)(C)CCC1.[Br-].[Br-]
InChIKey: LXZLSFFMAQRLQU-UHFFFAOYSA-L
Molecular formula: C38H74Br2N2
Average molar mass: 718.8 g/mol
Monoisotopic mass: 716.42188

Names & identifiers

Preferred name: Ammonium, hexamethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, dibromide, dihydrate
IUPAC: 6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide

Names & synonyms

66967-73-5Ammonium, hexamethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, dibromide, dihydrateRefChem:319389DTXSID60985708N~1~,N~1~,N~6~,N~6~-Tetramethyl-N~1~,N~6~-bis[2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butyl]hexane-1,6-bis(aminium) dibromide

Database identifiers

CAS: 66967-73-5
PubChem CID: 48640
DTXSID: DTXSID60985708

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 17
Heavy atoms: 42
Formal charge: 0
Complexity: 768

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