3-Methoxy-N~1~,N~1~,N~1~,N~6~,N~6~,N~6~-hexamethylhexane-1,6-bis(aminium) diiodide

HCID 58748

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Basic information

CAS: 101710-59-2
Standard SMILES: COC(CCC[N+](C)(C)C)CC[N+](C)(C)C.[I-].[I-]
InChIKey: DOSURQRMWXCJHY-UHFFFAOYSA-L
Molecular formula: C13H32I2N2O
Average molar mass: 486.22 g/mol
Monoisotopic mass: 486.06041

Names & identifiers

Preferred name: 3-Methoxy-N~1~,N~1~,N~1~,N~6~,N~6~,N~6~-hexamethylhexane-1,6-bis(aminium) diiodide
IUPAC: [3-methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium diiodide
English name: 3-Methoxyhexamethylenebis(trimethylammonium iodide)
Molecular formula: C13H32N2O.2I
Molecular weight: 486.209

Names & synonyms

101710-59-2DTXSID309065213-Methoxy-N~1~,N~1~,N~1~,N~6~,N~6~,N~6~-hexamethylhexane-1,6-bis(aminium) diiodideRefChem:1068139DTXCID801335618AMMONIUM, 3-METHOXYHEXAMETHYLENEBIS(TRIMETHYL-, DIIODIDE[3-methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium;diiodide3-Methoxyhexamethylenebis(trimethylammonium iodide)CHEMBL3391866[3-Methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium diiodide

Database identifiers

CAS: 101710-59-2
PubChem CID: 58748
DTXSID: DTXSID30906521
ChEMBL: CHEMBL3391866

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 179

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