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Choline bromide

CAT: 0013-GTR19244931-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244931-01Size:50 g
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Description
Choline bromide 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
1927-06-6
Field of Research
Pharmacology & Drug Discovery
Smiles
[Br-].OCC[N+] (C) (C) C
Molecular Formula
C5H14BrNO
Molecular Weight
184.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Choline Bromide

See also: Choline (annotation moved to); Choline Chloride (annotation moved to).

CAS Number1927-06-6
PubChem CID74724
IUPAC Name2-hydroxyethyl(trimethyl)azanium bromide
Molecular FormulaC5H14BrNO
Molecular Weight184.07
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
C[N+](C)(C)CCO.[Br-]
InChI
InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
JJCWKVUUIFLXNZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Choline Bromide
CAS: 1927-06-6
CID: 74724
Formula: C5H14BrNO
MW: 184.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.07
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass183.02588
Monoisotopic Mass183.02588
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
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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