chempirical

Acetylcholine chloride

C7H16ClNO2CAS 60-31-1181.66 g/mol

Open in Covalent MOL file
OON+Cl−
EsterQuaternary ammonium

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
Density
1.27 g/mL
Melting point
150 °C
logP
-2.74Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
60-31-1
SMILES
CC(=O)OCC[N+](C)(C)C.[Cl-]
InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M
InChI
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1)
  • Choline acetate (ester), chloride
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
  • Acecoline
  • 2-Acetoxyethyltrimethylammonium chloride
  • ACh chloride
  • Arterocoline
  • (2-Hydroxyethyl)trimethylammonium chloride acetate
  • Ovisot
  • Acetylcholinium chloride
  • O-Acetylcholine chloride
  • Trimethyl(2-acetoxyethyl)ammonium chloride
  • Acecholin
  • Miochol

Work with Acetylcholine 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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 D-Alanine tert-butyl ester hydrochloride59531-86-1 (3-Carboxypropyl)trimethylammonium chloride6249-56-5 7-Aminoheptanoic acid hydrochloride62643-56-5

Elsewhere

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