Acetylcholine perchlorate

C₇H₁₆ClNO₆CAS 927-86-6245.66 g/mol

Open in Covalent MOL file

Ester Quaternary ammonium

Properties

Molecular formula: C₇H₁₆ClNO₆
Molar mass: 245.66 g/mol
Exact mass: 245.0666 Da
logP: -4.50Crippen estimate
Polar surface area: 118.5 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Identifiers

CAS number

927-86-6

SMILES

CC(=O)OCC[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]

InChIKey

SHIQLFRCVFUYEK-UHFFFAOYSA-M

InChI

InChI=1S/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;(H,2,3,4,5)/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-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1)
Choline acetate (ester), perchlorate
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate
Choline, acetyl-, perchlorate

Work with Acetylcholine perchlorate

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

Acetylcholine iodide2260-50-670 % similar Acetylcholine chloride60-31-170 % similar Acetylcholine bromide66-23-970 % similar Glycol diacetate111-55-750 % similar 1,3-Diacetoxypropane628-66-047 % similar Butylene glycol diacetate628-67-147 % similar 1,8-Diacetoxy-3,6-dioxaoctane111-21-745 % similar Hexylene glycol diacetate6222-17-945 % similar

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

Elsewhere

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