4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-


Chemical Name: 4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-
CAS Number: 1208-75-9
Product Number: AG0074GW(AGN-PC-0K6A55)
Synonyms:
MDL No:
Molecular Formula: C13H17NO
Molecular Weight: 203.2802

Identification/Properties


Computed Properties
Molecular Weight:
203.285g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
203.131g/mol
Monoisotopic Mass:
203.131g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
209
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


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



1-Benzylazepan-4-one, also known as $name$, is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. In organic chemistry, this compound serves as a valuable building block in the creation of various complex molecules through a range of chemical transformations.Its cyclic structure containing a benzyl group and an azepane ring provides a solid foundation for the synthesis of diverse organic compounds. $name$ can undergo various reactions such as acylation, alkylation, and reduction, making it a key intermediate in the preparation of pharmaceuticals, agrochemicals, and other fine chemicals.Furthermore, the presence of a carbonyl group in 1-Benzylazepan-4-one facilitates its involvement in important organic reactions like nucleophilic addition, enamine formation, and amide bond formation. Its structural flexibility allows for modification and functionalization, enabling chemists to tailor its properties for specific applications in drug discovery, material science, and medicinal chemistry.Overall, 1-Benzylazepan-4-one plays a crucial role in modern organic synthesis as a versatile and adaptable building block for the efficient construction of complex molecular structures with diverse functionalities.