Ammonium, hexamethylenebis((3-((2,6-dimethyl-2-ethyl)cyclohexyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrate

HCID 48632

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 66967-69-9
Standard SMILES: CCC1(C)CCCC(C)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)CC.[Br-].[Br-]
InChIKey: BELGWIWNSQDBHA-UHFFFAOYSA-L
Molecular formula: C38H78Br2N2
Average molar mass: 722.8 g/mol
Monoisotopic mass: 720.45318

Names & identifiers

Preferred name: Ammonium, hexamethylenebis((3-((2,6-dimethyl-2-ethyl)cyclohexyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrate
IUPAC: 4-(2-ethyl-2,6-dimethylcyclohexyl)butan-2-yl-[6-[4-(2-ethyl-2,6-dimethylcyclohexyl)butan-2-yl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide

Names & synonyms

66967-69-9Ammonium, hexamethylenebis((3-((2,6-dimethyl-2-ethyl)cyclohexyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrateRefChem:319371DTXSID20985704N~1~,N~6~-Bis[4-(2-ethyl-2,6-dimethylcyclohexyl)butan-2-yl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide

Database identifiers

CAS: 66967-69-9
PubChem CID: 48632
DTXSID: DTXSID20985704

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: 652

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…