5,5'-Oxybis(N,N,N-triethylpentan-1-aminium) diiodide

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Basic information

CAS: 114302-98-6
Standard SMILES: CC[N+](CC)(CC)CCCCCOCCCCC[N+](CC)(CC)CC.[I-].[I-]
InChIKey: IFARTRMGJXQQEK-UHFFFAOYSA-L
Molecular formula: C22H50I2N2O
Average molar mass: 612.5 g/mol
Monoisotopic mass: 612.20126

Names & identifiers

Preferred name: 5,5'-Oxybis(N,N,N-triethylpentan-1-aminium) diiodide
IUPAC: triethyl-[5-[5-(triethylazaniumyl)pentoxy]pentyl]azanium diiodide

Names & synonyms

114302-98-6DTXSID309213155,5'-oxybis(n,n,n-triethylpentan-1-aminium) diiodideRefChem:1072118DTXCID901350213(Oxybis(pentamethylene))bis(triethylammonium iodide)AMMONIUM, (OXYBIS(PENTAMETHYLENE))BIS(TRIETHYL-, DIIODIDE

Database identifiers

CAS: 114302-98-6
PubChem CID: 60619
DTXSID: DTXSID30921315

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 18
Heavy atoms: 27
Formal charge: 0
Complexity: 241

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Compound notes

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