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Acetylcholine Chloride

CAT: 0572-TRC-A172060-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A172060-50MGSize:50 mg
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CAS Number
60-31-1
Synonyms
Acetylcholine chloride; 2-(Acetyloxy)-N,N,N-trimethylethanaminium chloride; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1); Choline acetate (ester), chloride (8CI); Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (9CI); (2-Hydroxyethyl)trimethylammonium chloride acetate; 2-Acetoxyethyltrimethylammonium chloride; ACh chloride; Acecholin; Acecoline; Acetylcholine chloride; Acetylcholinium chloride; Arterocoline; Miochol; O-Acetylcholine chloride; Ovisot; Trimethyl(2-acetoxyethyl)ammonium chloride
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[Cl-].CC(=O)OCC[N+](C)(C)C
Molecular Formula
C7 H16 N O2 . Cl
Molecular Weight
181.66
InChI
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: 2-acetyloxyethyl(trimethyl)azanium;chloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Acetylcholine Chloride

Acetylcholine chloride is the chloride salt of acetylcholine, and a parasympatomimetic drug. It contains an acetylcholine.

CAS Number60-31-1
PubChem CID6060
IUPAC Name2-acetyloxyethyl(trimethyl)azanium chloride
Molecular FormulaC7H16ClNO2
Molecular Weight181.66
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity115
SMILES
CC(=O)OCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acetylcholine Chloride
CAS: 60-31-1
CID: 6060
Formula: C7H16ClNO2
MW: 181.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.66
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass181.0869564
Monoisotopic Mass181.0869564
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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