Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis((2-hydroxyethyl)methyl-, dibromide

HCID 48828

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Basic information

CAS: 67011-25-0
Standard SMILES: CC1CCCC(C)(C)C1CCC(C)[N+](C)(CCO)CCCCCC[N+](C)(CCO)C(C)CCC1C(C)CCCC1(C)C.[Br-].[Br-]
InChIKey: LRRVJQMTTTZNSI-UHFFFAOYSA-L
Molecular formula: C38H78Br2N2O2
Average molar mass: 754.8 g/mol
Monoisotopic mass: 752.443

Names & identifiers

Preferred name: Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis((2-hydroxyethyl)methyl-, dibromide
IUPAC: 2-hydroxyethyl-[6-[2-hydroxyethyl-methyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl]-methyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide

Names & synonyms

67011-25-0Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis((2-hydroxyethyl)methyl-, dibromideRefChem:319383DTXSID50985838N~1~,N~6~-Bis(2-hydroxyethyl)-N~1~,N~6~-dimethyl-N~1~,N~6~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]hexane-1,6-bis(aminium) dibromide

Database identifiers

CAS: 67011-25-0
PubChem CID: 48828
DTXSID: DTXSID50985838

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 19
Heavy atoms: 44
Formal charge: 0
Complexity: 691

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