Cyclohexanecarboxamide


Chemical Name: Cyclohexanecarboxamide
CAS Number: 1122-56-1
Product Number: AG003P4K(AGN-PC-0BUU0N)
Synonyms:
MDL No:
Molecular Formula: C7H13NO
Molecular Weight: 127.1842

Identification/Properties


Properties
MP:
186-188 °C
BP:
280.1 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4210 (estimate)
Computed Properties
Molecular Weight:
127.187g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
127.1g/mol
Monoisotopic Mass:
127.1g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
106
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



Cyclohexanecarboxamide, also known as cyclohexanone oxime, is a versatile chemical compound commonly used in chemical synthesis. This compound is valued for its key role as a building block in various organic reactions, particularly in the production of pharmaceuticals, agrochemicals, and fine chemicals.One of the primary applications of Cyclohexanecarboxamide in chemical synthesis is as a precursor in the synthesis of heterocyclic compounds. By utilizing its functional groups and reactivity, Cyclohexanecarboxamide can participate in various reactions such as cyclization, condensation, and hydrolysis to form structurally diverse heterocycles. These heterocyclic compounds have significant importance in drug discovery and development, as they often exhibit unique biological activities and pharmacological properties.Furthermore, Cyclohexanecarboxamide can also serve as a starting material for the preparation of amides, a class of compounds widely employed in organic synthesis. Through appropriate chemical transformations, Cyclohexanecarboxamide can be converted into various amide derivatives, which are vital intermediates in the synthesis of complex organic molecules.Overall, the versatility and reactivity of Cyclohexanecarboxamide make it a valuable tool in the hands of chemists for designing and synthesizing novel compounds with potential applications in the pharmaceutical, agricultural, and chemical industries.