Acetylcholine chloride

CAT: 0024-sc-202904ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-202904ASize:25 g

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CAS Number

60-31-1

Chemical Information

Acetylcholine Chloride

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

CAS Number	60-31-1
PubChem CID	6060
IUPAC Name	2-acetyloxyethyl(trimethyl)azanium chloride
Molecular Formula	C7H16ClNO2
Molecular Weight	181.66
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	115

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

CAS: 60-31-1

CID: 6060

Formula: C7H16ClNO2

MW: 181.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.66
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.0869564
Monoisotopic Mass	181.0869564
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	115
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-217569A	Acetylcholine-d9 Chloride
sc-217569	Acetylcholine-d9 Chloride
sc-252350	Acetylcholine bromide
sc-233810	Acetylcholine perchlorate
sc-257065	Acetylcholine iodide
sc-207255	Acetylcholine-d9 Bromide
sc-279274	Lithium chloride-potassium chloride
sc-235244	Geranyl chloride
sc-211136	Cotarnine Chloride
sc-500709	Desmosine Chloride

Catalog	Name
B1596-50	Acetylcholine Chloride
HY-B0282-01	Acetylcholine (chloride)