Ammonium, (5-hydroxymethylfurfuryl)trimethyl-, iodide

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Basic information

CAS: 66473-26-5
Standard SMILES: C[N+](C)(C)Cc1ccc(CO)o1.[I-]
InChIKey: MBOIDHOWFCTUFY-UHFFFAOYSA-M
Molecular formula: C9H16INO2
Average molar mass: 297.13 g/mol
Monoisotopic mass: 297.02258

Names & identifiers

Preferred name: Ammonium, (5-hydroxymethylfurfuryl)trimethyl-, iodide
IUPAC: [5-(hydroxymethyl)furan-2-yl]methyl-trimethylazanium iodide

Names & synonyms

5-Hmft5-Hft5-Hydroxymethylfurmithide(5-Hydroxymethylfurfuryl)trimethylammonium iodideAmmonium, trimethyl(5-hydroxymethylfurfuryl)-, iodide66473-26-5AMMONIUM, (5-HYDROXYMETHYLFURFURYL)TRIMETHYL-, IODIDE2-Furanmethanaminium, 5-(hydroxymethyl)-N,N,N-trimethyl-, iodideRefChem:3189552-Furanmethanaminium, 5-(hydroxymethyl)-N,N,N-trimethyl-, iodide (9CI)DTXSID70985113[5-(Hydroxymethyl)furan-2-yl]-N,N,N-trimethylmethanaminium iodide

Database identifiers

CAS: 66473-26-5
PubChem CID: 47947
DTXSID: DTXSID70985113

Properties

Computed structural properties

Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 142

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Compound notes

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