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Acetyl Choline Iodide 99% AR

CAT: 1507-00046 00005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1507-00046 00005Size:5 mg
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CAS Number
2260-50-6

Chemical Information

Acetylcholine Iodide

See also: Acetylcholine (has active moiety).

CAS Number2260-50-6
PubChem CID75271
IUPAC Name2-acetyloxyethyl(trimethyl)azanium iodide
Molecular FormulaC7H16INO2
Molecular Weight273.11
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.[I-]
InChI
InChI=1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
SMBBQHHYSLHDHF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acetylcholine Iodide
CAS: 2260-50-6
CID: 75271
Formula: C7H16INO2
MW: 273.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight273.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass273.02258
Monoisotopic Mass273.02258
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