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51-83-2

51-83-2 structural image
Product Name: Carbachol
Formula: C6H15N2O2.Cl
Synonyms: (2-Hydroxyethyl)trimethylammonium chloride carbamate;Carbachol;Carbachol - CAS 51-83-2 - Calbiochem;Carbamoylcholine chloride;Carbamylcholine chloride
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Prismatic crystals or powder. Odorless, but develops a faint odor of aliphatic amine upon standing in an open container. Cholinergic, parasympathomimetic, used chiefly in large animals, especially for colic in the horse. (EPA, 1998)
Color/Form Hard prismatic crystals
Odor Odorless or has a slight amine-like odor
Melting Point 392 to 401 °F (EPA, 1998)
Solubility 1 g in 1 ml water
Stability/Shelf Life The aqueous soln is stable even when heated.
Decomposition When heated to decomposition it emits ... very toxic fumes of /hydrogen chloride, ammonia and nitrogen oxides/.
pH Neutral to litmus (aqueous soln)
Collision Cross Section 128 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Hygroscopic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 182.65 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 182.0822054 g/mol
Monoisotopic Mass 182.0822054 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 117
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

PRODUCT INTRODUCTION

description

Prismatic crystals or powder. Odorless, but develops a faint odor of aliphatic amine upon standing in an open container. Cholinergic, parasympathomimetic, used chiefly in large animals, especially for colic in the horse. (EPA, 1998)