4-(dimethyl-4H-1,2,4-triazol-3-yl)butanoic acid


Chemical Name: 4-(dimethyl-4H-1,2,4-triazol-3-yl)butanoic acid
CAS Number: 1249819-92-8
Product Number: AG01AGOJ(AGN-PC-0WO4VN)
Synonyms:
MDL No: MFCD14639464
Molecular Formula: C8H13N3O2
Molecular Weight: 183.2077

Identification/Properties


Computed Properties
Molecular Weight:
183.211g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
183.101g/mol
Monoisotopic Mass:
183.101g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
186
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

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NMR Spectrum


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Chemical Structure



The chemical 4-(dimethyl-4H-1,2,4-triazol-3-yl)butanoic acid is a versatile compound that finds application in various chemical synthesis processes. It serves as a valuable building block in the creation of complex organic molecules due to its unique structural features and reactivity. This compound is commonly used as a linker or coupling agent in peptide synthesis, where it facilitates the formation of peptide bonds between amino acids. Additionally, it can be employed in the preparation of pharmaceutical intermediates, agrochemicals, and other specialty chemicals. Its triazole moiety confers stability and enhanced bioactivity to the molecules it is incorporated into, making it a valuable tool in the hands of synthetic chemists.