N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide

HCID 212949

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Basic information

CAS: 25433-45-8
Standard SMILES: CC[N+](C)(C)C(C)CCc1ccco1.[I-]
InChIKey: ZWEXDTLXIXNMAC-UHFFFAOYSA-M
Molecular formula: C12H22INO
Average molar mass: 323.21 g/mol
Monoisotopic mass: 323.07461

Names & identifiers

Preferred name: N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide
IUPAC: ethyl-[4-(furan-2-yl)butan-2-yl]-dimethylazanium iodide

Names & synonyms

n-ethyl-4-(furan-2-yl)-n,n-dimethylbutan-2-aminium iodideDTXSID3094828925433-45-8RefChem:1091757DTXCID001376523Ammonium, dimethylethyl(4-(2-furyl)-2-butyl)-, iodideDimethylethyl(4-(2-furyl)-2-butyl)ammonium iodide(3-(2-Furyl)-1-methylpropyl)trimethylammonium iodideAmmonium, (3-(2-furyl)-1-methylpropyl)trimethyl-, iodideEthyl(3-(2-furyl)-1-methylpropyl)dimethylammonium iodideAmmonium, ethyl(3-(2-furyl)-1-methylpropyl)dimethyl-, iodide

Database identifiers

CAS: 25433-45-8
PubChem CID: 212949
DTXSID: DTXSID30948289

Properties

Computed structural properties

Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 168

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