Cycloheptanone, oxime


Chemical Name: Cycloheptanone, oxime
CAS Number: 2158-31-8
Product Number: AG003P49(AGN-PC-0JMPGZ)
Synonyms:
MDL No:
Molecular Formula: C7H13NO
Molecular Weight: 127.1842

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
127.187g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
127.1g/mol
Monoisotopic Mass:
127.1g/mol
Topological Polar Surface Area:
32.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
99.5
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Cycloheptanone oxime is a valuable reagent in chemical synthesis due to its versatile applications. As a cyclic oxime compound, it serves as a precursor in various organic reactions, particularly in the formation of nitrogen-containing compounds. The oxime functional group can undergo efficient transformations, such as dehydration to form nitriles, reduction to yield amines, or rearrangement to produce amides or hydroxamic acids.In the field of organic synthesis, Cycloheptanone oxime is commonly employed in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Its ability to participate in diverse reaction pathways makes it a useful building block for creating complex molecular structures. Additionally, the use of Cycloheptanone oxime allows chemists to introduce nitrogen atoms into target molecules, which can significantly impact the biological activity or physical properties of the final compounds. This compound's role in chemical synthesis highlights its importance as a versatile tool for creating novel and functionalized organic molecules.