N-(4-ethynylphenyl)-2-propenamide


Chemical Name: N-(4-ethynylphenyl)-2-propenamide
CAS Number: 1233382-94-9
Product Number: AG01C7DM(AG01C7DM)
Synonyms:
MDL No:
Molecular Formula: C11H9NO
Molecular Weight: 171.1953

Identification/Properties


Computed Properties
Molecular Weight:
171.199g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
171.068g/mol
Monoisotopic Mass:
171.068g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
240
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



N-(4-ethynylphenyl)prop-2-enamide is a valuable chemical compound widely used in chemical synthesis for its versatile applications. This compound serves as a key intermediate in the production of various pharmaceuticals and organic compounds. With its unique structure and reactivity, N-(4-ethynylphenyl)prop-2-enamide is commonly employed in the synthesis of complex molecules through various transformation reactions. Its presence facilitates the introduction of functional groups and modification of chemical structures, making it an essential building block in organic chemistry research and development. Additionally, the specific chemical properties of N-(4-ethynylphenyl)prop-2-enamide allow for selective and efficient transformations, enabling chemists to design and execute intricate synthetic pathways with high precision and control. Its importance lies in its ability to enable the creation of new molecules with tailored properties and functions, thereby contributing significantly to the advancement of chemical synthesis methodologies and the development of novel materials.