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Fluorocholine (chloride)

CAT: 0804-HY-107351-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107351-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fluorocholine (chloride) is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].
CAS Number
459424-38-5
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fluorocholine-chloride.html
Purity
99.95
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
OCC[N+](C)(C)CF.[Cl-]
Molecular Formula
C5H13ClFNO
Molecular Weight
157.61
Precautions
H302, H315, H319, H335
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Fluorocholine chloride
CAS Number459424-38-5
PubChem CID404591
IUPAC Namefluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride
Molecular FormulaC5H13ClFNO
Molecular Weight157.61
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
C[N+](C)(CCO)CF.[Cl-]
InChI
InChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey
QJEHIIJVWXGJAB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Fluorocholine chloride
CAS: 459424-38-5
CID: 404591
Formula: C5H13ClFNO
MW: 157.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.61
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass157.0669699
Monoisotopic Mass157.0669699
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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