Cas no 112924-28-4 (Benzenepropanamide,N-[1-[(acetyloxy)methyl]-2-phenylethyl]-a-(benzoylamino)- (9CI))

Benzenepropanamide,N-[1-[(acetyloxy)methyl]-2-phenylethyl]-a-(benzoylamino)- (9CI) structure
112924-28-4 structure
Product Name:Benzenepropanamide,N-[1-[(acetyloxy)methyl]-2-phenylethyl]-a-(benzoylamino)- (9CI)
CAS No:112924-28-4
MF:C27H28N2O4
MW:444.522227287292
CID:207597
Update Time:2024-01-26

Benzenepropanamide,N-[1-[(acetyloxy)methyl]-2-phenylethyl]-a-(benzoylamino)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanamide,N-[1-[(acetyloxy)methyl]-2-phenylethyl]-a-(benzoylamino)- (9CI)
    • Anomalamide
    • Benzenepropanamide, N-[1-[(acetyloxy)methyl]-2-phenylethyl]-α-(benzoylamino)- (9CI)
    • Inchi: 1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)
    • InChI Key: VZPAURMDJZOGHU-UHFFFAOYSA-N
    • SMILES: C1(CC(NC(=O)C2=CC=CC=C2)C(NC(COC(C)=O)CC2=CC=CC=C2)=O)=CC=CC=C1

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.179±0.06 g/cm3(Predicted)
  • Boiling Point: 716.1±60.0 °C(Predicted)
  • PSA: 52.54
  • pka: 13.30±0.46(Predicted)
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