chempirical

Choline chloride

C5H14ClNOCAS 67-48-1139.62 g/mol

Open in Covalent MOL file
N+OHCl−
AlcoholQuaternary ammonium

Properties

Molecular formula
C5H14ClNO
Molar mass
139.62 g/mol
Exact mass
139.0764 Da
Melting point
305 °C (decomposes)
logP
-3.31Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
67-48-1
SMILES
C[N+](C)(C)CCO.[Cl-]
InChIKey
SGMZJAMFUVOLNK-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

22 names · show all
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
  • Choline, chloride
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride
  • Biocolina
  • Hepacholine
  • (2-Hydroxyethyl)trimethylammonium chloride
  • Lipotril
  • Cholinium chloride
  • (β-Hydroxyethyl)trimethylammonium chloride
  • Bilineurin chloride
  • Luridin chloride
  • Biocoline
  • Hormocline
  • Neocolina
  • Paresan
  • Trimethyl(2-hydroxyethyl)ammonium chloride
  • Actiron CC 6
  • Norcol 25
  • COL 24
  • ReaShure Choline
  • Claytreat
  • (2-Hydroxyethyl)trimethylazanium chloride

Work with Choline chloride

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 iodide17773-10-370 % similar Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-670 % similar Choline bicarbonate78-73-950 % similar Chlormequat chloride999-81-548 % similar Caprylyltrimethylammonium chloride10108-86-842 % similar Decyltrimethylammonium chloride10108-87-942 % similar

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

Elsewhere

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