chempirical

Choline hydroxide

C5H15NO2CAS 123-41-1121.18 g/mol

Open in Covalent MOL file
N+OHHO−
AlcoholQuaternary ammonium

Properties

Molecular formula
C5H15NO2
Molar mass
121.18 g/mol
Exact mass
121.1103 Da
logP
-0.49Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
123-41-1
SMILES
C[N+](C)(C)CCO.[OH-]
InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1)
  • Choline, hydroxide
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
  • Bursine
  • Fagine
  • Gossypine
  • (β-Hydroxyethyl)trimethylammonium hydroxide
  • Luridine
  • Sincaline
  • Sinkalin
  • Sinkaline
  • Vidine
  • (2-Hydroxyethyl)trimethylammonium hydroxide
  • Trimethyl(hydroxyethyl)ammonium hydroxide
  • Trimethyl(2-hydroxyethyl)ammonium hydroxide
  • N,N,N-Trimethyl-N-(2-hydroxyethyl)ammonium hydroxide
  • Cholinium hydroxide
  • N,N,N-Trimethyl-N-hydroxyethylammonium hydroxide
  • 2-Hydroxy-N,N,N-trimethylethanaminium hydroxide

Work with Choline hydroxide

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 Trimethyl(2-hydroxyethyl)ammonium iodide17773-10-370 % similar Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-670 % similar Choline chloride67-48-170 % similar Choline bicarbonate78-73-950 % similar Cetyltrimethylammonium hydroxide505-86-242 % similar Choline p-toluenesulfonate55357-38-538 % similar Choline bitartrate87-67-238 % similar

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

Elsewhere

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