chempirical

Trimethyl(2-hydroxyethyl)ammonium iodide

C5H14INOCAS 17773-10-3231.08 g/mol

Open in Covalent MOL file
N+OHI−
AlcoholQuaternary ammonium

Properties

Molecular formula
C5H14INO
Molar mass
231.08 g/mol
Exact mass
231.0120 Da
Melting point
258 °C (decomposes)
logP
-3.31Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
17773-10-3
SMILES
C[N+](C)(C)CCO.[I-]
InChIKey
FNPBHXSBDADRBT-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

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Names and synonyms

5 names
  • Choline, iodide
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide (1:1)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide
  • Dilatol zambon
  • 2-Hydroxyethyltrimethylammonium iodide

Work with Trimethyl(2-hydroxyethyl)ammonium iodide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Choline62-49-782 % similar Choline hydroxide123-41-170 % similar Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-670 % similar Choline chloride67-48-170 % similar Decamethylenebis(trimethylammonium) iodide1420-40-252 % similar Choline bicarbonate78-73-950 % similar (2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-740 % similar (Iodomethyl)trimethylammonium iodide39741-91-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook