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Acetylcholine

CAT: 0931-T124730-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T124730-01Size:50 mg
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CAS Number
51-84-3
Target
AChR
Related Pathways
Neuroscience
Purity
0.999
Bioactivity
Acetylcholine, a quaternary ammonium neurotransmitter, is used in biochemical research to study signal transduction in central/peripheral nervous systems.
Smiles
CC(=O)OCC[N+](C)(C)C
Molecular Formula
C7H16NO2
Molecular Weight
146.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acetylcholine

Acetylcholine is actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. It has a role as a hormone, a neurotransmitter, a vasodilator agent, a muscarinic agonist, a mouse metabolite and a human metabolite. It is an acylcholine and an acetate ester.

CAS Number51-84-3
PubChem CID187
IUPAC Name2-acetyloxyethyl(trimethyl)azanium
Molecular FormulaC7H16NO2+
Molecular Weight146.21
XLogP0.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge1
Complexity115
SMILES
CC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKey
OIPILFWXSMYKGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetylcholine
CAS: 51-84-3
CID: 187
Formula: C7H16NO2+
MW: 146.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.21
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass146.118103753
Monoisotopic Mass146.118103753
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge1
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes