Benzonitrile, 4-(4-methyl-1-piperazinyl)-


Chemical Name: Benzonitrile, 4-(4-methyl-1-piperazinyl)-
CAS Number: 34334-28-6
Product Number: AG007G5W(AGN-PC-0JW2DB)
Synonyms:
MDL No:
Molecular Formula: C12H15N3
Molecular Weight: 201.2676

Identification/Properties


Computed Properties
Molecular Weight:
201.273g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
201.127g/mol
Monoisotopic Mass:
201.127g/mol
Topological Polar Surface Area:
30.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 4-(4-Methylpiperazin-1-yl)benzonitrile, also known as $name$, plays a crucial role in chemical synthesis processes. Its unique molecular structure makes it a versatile building block for the creation of various pharmaceuticals, agrochemicals, and fine chemicals. In organic synthesis, $name$ serves as a valuable intermediate for the production of complex molecules due to its functional groups that enable easy modifications and derivatization. Its presence in the reaction mixture facilitates the formation of new carbon-carbon or carbon-nitrogen bonds, leading to the synthesis of novel compounds with diverse properties and applications in the field of chemistry. Beyond its utility as a reagent, $name$ displays specific reactivity patterns that make it a valuable tool for chemists seeking to design and develop innovative chemical processes.