Cas no 544473-19-0 (2-Cyclohexen-1-one, 3-[(3-bromophenyl)amino]-5-methyl-)

2-Cyclohexen-1-one, 3-[(3-bromophenyl)amino]-5-methyl- structure
544473-19-0 structure
Product Name:2-Cyclohexen-1-one, 3-[(3-bromophenyl)amino]-5-methyl-
CAS No:544473-19-0
MF:C13H14BrNO
MW:280.16036272049
CID:1588976
Update Time:2024-09-13

2-Cyclohexen-1-one, 3-[(3-bromophenyl)amino]-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one, 3-[(3-bromophenyl)amino]-5-methyl-
    • Inchi: 1S/C13H14BrNO/c1-9-5-12(8-13(16)6-9)15-11-4-2-3-10(14)7-11/h2-4,7-9,15H,5-6H2,1H3
    • InChI Key: ZMXDWRSDXWUWMK-UHFFFAOYSA-N
    • SMILES: C1(=O)CC(C)CC(NC2=CC=CC(Br)=C2)=C1

Computed Properties

  • Exact Mass: 279.02592

Experimental Properties

  • Density: 1.434±0.06 g/cm3(Predicted)
  • Boiling Point: 371.9±42.0 °C(Predicted)
  • PSA: 29.1
  • pka: -0.45±0.40(Predicted)
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