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β-Methylcholine iodide

CAT: 0013-GTR19244701-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244701-02Size:100 mg
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Description
β-Methylcholine iodide is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
26112-50-5
Smiles
[I-].OC (C) C[N+] (C) (C) C
Molecular Formula
C6H16INO
Molecular Weight
245.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methylcholine iodide
CAS Number26112-50-5
PubChem CID10263892
IUPAC Name2-hydroxypropyl(trimethyl)azanium iodide
Molecular FormulaC6H16INO
Molecular Weight245.10
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
CC(C[N+](C)(C)C)O.[I-]
InChI
InChI=1S/C6H16NO.HI/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKey
FOILINVEQJRMPF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Methylcholine iodide
CAS: 26112-50-5
CID: 10263892
Formula: C6H16INO
MW: 245.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.10
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass245.02766
Monoisotopic Mass245.02766
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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