1-Pentanaminium, 5-bromo-N,N,N-trimethyl-, bromide


Chemical Name: 1-Pentanaminium, 5-bromo-N,N,N-trimethyl-, bromide
CAS Number: 15008-33-0
Product Number: AG001MAV(AGN-PC-0NFUPK)
Synonyms:
MDL No:
Molecular Formula: C8H19Br2N
Molecular Weight: 289.0512

Identification/Properties


Properties
MP:
141-143 °C(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
289.055g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
288.986g/mol
Monoisotopic Mass:
286.988g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
75.8
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Bromo-N,N,N-trimethylpentan-1-aminium bromide is a versatile compound used in chemical synthesis for a variety of applications. This compound plays a crucial role as a quaternary ammonium salt in organic reactions, particularly in phase-transfer catalysis. Its unique molecular structure allows for efficient transfer of reactants between immiscible phases, enhancing reaction efficiency and selectivity. Furthermore, 5-Bromo-N,N,N-trimethylpentan-1-aminium bromide is utilized as a phase-transfer catalyst in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its ability to facilitate reactions in both aqueous and organic phases makes it a valuable tool in organic synthesis, enabling the production of complex molecular structures with high yields and purity. Additionally, this compound is used in the asymmetric synthesis of chiral compounds, where its chiral center influences the stereochemistry of the reaction products. In summary, 5-Bromo-N,N,N-trimethylpentan-1-aminium bromide is an essential reagent in chemical synthesis, offering exceptional catalytic properties and versatility in a wide range of applications.