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Bromocholine bromide

CAT: 0013-GTR19244869-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244869-02Size:50 g
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Description
2-Bromo-N, N, N-trimethylethanaminium bromide is a type of quaternary ammonium salt. It consists of the positively charged 2-bromo-N, N, N-trimethylethylammonium cation and the negatively charged bromide anion. This compound is commonly utilized as a phase transfer catalyst in organic chemical reactions, aiding in the transfer of reactants between immiscible phases. Additionally, it serves as a halogenating agent, for instance, in the bromination of alkenes.
CAS Number
2758-06-7
Smiles
[Br-].BrCC[N+] (C) (C) C
Molecular Formula
C5H13Br2N
Molecular Weight
246.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromocholine bromide
CAS Number2758-06-7
PubChem CID17689
IUPAC Name2-bromoethyl(trimethyl)azanium bromide
Molecular FormulaC5H13Br2N
Molecular Weight246.97
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
C[N+](C)(C)CCBr.[Br-]
InChI
InChI=1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
OINMNSFDYTYXEQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Bromocholine bromide
CAS: 2758-06-7
CID: 17689
Formula: C5H13Br2N
MW: 246.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.97
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass246.93943
Monoisotopic Mass244.94147
Topological Polar Surface Area0 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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