chempirical

Trimethyl(2-hydroxyethyl)ammonium bromide

C5H14BrNOCAS 1927-06-6184.08 g/mol

Open in Covalent MOL file
N+OHBr−
AlcoholQuaternary ammonium

Properties

Molecular formula
C5H14BrNO
Molar mass
184.08 g/mol
Exact mass
183.0259 Da
Melting point
287–289 °C (decomposes)
logP
-3.31Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1927-06-6
SMILES
C[N+](C)(C)CCO.[Br-]
InChIKey
JJCWKVUUIFLXNZ-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.BrH/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

4 names
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, bromide (1:1)
  • Choline, bromide
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, bromide
  • (2-Hydroxyethyl)trimethylammonium bromide

Work with Trimethyl(2-hydroxyethyl)ammonium bromide

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 Choline chloride67-48-170 % similar Decamethonium bromide541-22-052 % similar Hexamethonium bromide55-97-052 % similar Trimethylpropylammonium bromide2650-50-250 % similar Choline bicarbonate78-73-950 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook