Ethanaminium, N-ethyl-2-hydroxy-N,N-dimethyl-, iodide (1:1)

HCID 70682

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Basic information

CAS: 1113-04-8
Standard SMILES: CC[N+](C)(C)CCO.[I-]
InChIKey: IVCGCSKCNKPTOM-UHFFFAOYSA-M
Molecular formula: C6H16INO
Average molar mass: 245.1 g/mol
Monoisotopic mass: 245.02766

Names & identifiers

Preferred name: Ethanaminium, N-ethyl-2-hydroxy-N,N-dimethyl-, iodide (1:1)
IUPAC: ethyl-(2-hydroxyethyl)-dimethylazanium iodide

Names & synonyms

1113-04-8Monoethylcholine iodideRefChem:921207Ethanaminium, N-ethyl-2-hydroxy-N,N-dimethyl-, iodide (1:1)Ethanaminium, N-ethyl-2-hydroxy-N,N-dimethyl-, iodideN-Ethyl-2-hydroxy-N,N-dimethylethan-1-aminium iodideDimethylethylcholine iodideN-Dimethylethylcholine iodideEthyl(2-hydroxyethyl)dimethylammonium iodideAmmonium, ethyl(2-hydroxyethyl)dimethyl-, iodidestarbld0048601CHEMBL118742

Show more names

DTXSID40912097dimethylethyl(2-hydroxyethyl) ammonium iodideETHYL(2-HYDROXYETHYL)DIMETHYLAZANIUM IODIDE

Database identifiers

CAS: 1113-04-8
PubChem CID: 70682
DTXSID: DTXSID40912097
ChEMBL: CHEMBL118742

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 61.5

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