2-Methyl-N-phenylacrylamide
Product Information
Molecular Formula
C10H11NO
Molecular Weight
161.2
Description
2-Methyl-N-phenylacrylamide is widely used in the synthesis of various drugs. Its intermediary role in the manufacture of antifungal and antibacterial agents makes it an effective molecule in the fight against infectious diseases.
Synonyms
2-Methyl-N-phenylacrylamide; N-Phenylmethacrylamide
IUPAC Name
2-methyl-N-phenylprop-2-enamide
SMILES
CC(=C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChI Key
IJSVVICYGLOZHA-UHFFFAOYSA-N
Boiling Point
319.4±15.0 °C(Predicted)
Melting Point
84-85°C
Purity
>98.0%(T)
Density
1.071±0.06 g/cm3(Predicted)
Appearance
White to Light yellow to Dark green powder to crystal
Computed Properties
XLogP3
2.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
161.084063974 g/mol
Monoisotopic Mass
161.084063974 g/mol
Topological Polar Surface Area
29.1Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
180
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
