Ammonium, hexamethylenebis((3-((2-isopropyl-5-methyl)cyclopentyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrate

HCID 48832

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Basic information

CAS: 67011-27-2
Standard SMILES: CC(C)C1CCC(C)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC1C(C)CCC1C(C)C.[Br-].[Br-]
InChIKey: ZYTBCKRLFSMZAD-UHFFFAOYSA-L
Molecular formula: C36H74Br2N2
Average molar mass: 694.8 g/mol
Monoisotopic mass: 692.42188

Names & identifiers

Preferred name: Ammonium, hexamethylenebis((3-((2-isopropyl-5-methyl)cyclopentyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrate
IUPAC: 6-[dimethyl-[4-(2-methyl-5-propan-2-ylcyclopentyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2-methyl-5-propan-2-ylcyclopentyl)butan-2-yl]azanium dibromide

Names & synonyms

67011-27-2Ammonium, hexamethylenebis((3-((2-isopropyl-5-methyl)cyclopentyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrateRefChem:319373DTXSID20985840N~1~,N~1~,N~6~,N~6~-Tetramethyl-N~1~,N~6~-bis{4-[2-methyl-5-(propan-2-yl)cyclopentyl]butan-2-yl}hexane-1,6-bis(aminium) dibromide

Database identifiers

CAS: 67011-27-2
PubChem CID: 48832
DTXSID: DTXSID20985840

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 17
Heavy atoms: 40
Formal charge: 0
Complexity: 594

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