Ammonium, oxydiethlenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, hemihydrate

HCID 48825

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Basic information

CAS: 67011-22-7
Standard SMILES: CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CCOCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C.[Cl-].[Cl-]
InChIKey: FWYNWUYJGLSDIQ-UHFFFAOYSA-L
Molecular formula: C34H70Cl2N2O
Average molar mass: 593.8 g/mol
Monoisotopic mass: 592.4865202

Names & identifiers

Preferred name: Ammonium, oxydiethlenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, hemihydrate
IUPAC: 2-[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]ethoxy]ethyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride

Names & synonyms

67011-22-7Ammonium, oxydiethlenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, hemihydrateRefChem:319444DTXSID70985835N,N'-[Oxydi(ethane-2,1-diyl)]bis[N,N-dimethyl-4-(2,2,6-trimethylcyclohexyl)butan-2-aminium] dichloride

Database identifiers

CAS: 67011-22-7
PubChem CID: 48825
DTXSID: DTXSID70985835

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 39
Formal charge: 0
Complexity: 611

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