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

Hazards

Warning
Irritant (GHS07)

Aggregated from 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetylcholine bromide66-23-9Salt Acetylcholine perchlorate927-86-6Salt Acetylcholine iodide2260-50-6Salt

Similar compounds

Succinylcholine chloride71-27-263 % similar Methacryloyloxyethyltrimethylammonium chloride homopolymer26161-33-159 % similar (2-(Methacryloyloxy)ethyl)trimethylammonium chloride5039-78-159 % similar Succinylcholine chloride dihydrate6101-15-158 % similar Glycol diacetate111-55-756 % similar Butyrylcholine chloride2963-78-256 % similar Acryloyloxyethyltrimethylammonium chloride44992-01-056 % similar 1,3-Diacetoxypropane628-66-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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