Acetyl-β-methylcholine chloride

CAT: 0024-sc-257063Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257063Size:5 g

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CAS Number

62-51-1

Chemical Information

Methacholine Chloride

Methacholine chloride is a quaternary ammonium salt. It contains a methacholine.

CAS Number	62-51-1
PubChem CID	6114
IUPAC Name	2-acetyloxypropyl(trimethyl)azanium chloride
Molecular Formula	C8H18ClNO2
Molecular Weight	195.69
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	138

SMILES

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

InChI

InChI=1S/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1

InChIKey

JHPHVAVFUYTVCL-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 62-51-1

CID: 6114

Formula: C8H18ClNO2

MW: 195.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.69
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	195.1026065
Monoisotopic Mass	195.1026065
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-268485	Acetyl β-methylcholine bromide
sc-291978	Beta-Methylcholine Chloride
sc-234279	Carbamyl-β-methylcholine chloride
sc-207253	Acetyl chloride
sc-207253A	Acetyl chloride
sc-291979	Beta-Methylcholine Iodide
sc-506410	(Pentafluorophenoxy) acetyl chloride
sc-257061	Acetyl chloride-13C2
sc-257062	Acetyl chloride-d3
sc-266613	(3-Chlorophenoxy) acetyl chloride

Catalog	Name
165680	O-Acetyl-β-methylcholine Chloride
BIA1090-01	Acetyl b-methylcholine chloride
A09230-01	Acetyl-b-methylcholine chloride 98%
HY-W127641-01	β-Methylcholine (chloride)
TYD-01524-01	β-Methylcholine chloride
HY-W127641R	β-Methylcholine (chloride) (Standard)
OR1015504-01	Beta-Methylcholine Chloride
TRC-M305855-10G	b-Methylcholine Chloride
CS-O-53600	Beta-Methylcholine Chloride D3
GL8921-5g	Carbamyl-beta-methylcholine chloride