Cas no 1016735-14-0 (4-methoxy-n-(2-methyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)-3-n Itrobenzamide)

4-methoxy-n-(2-methyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)-3-n Itrobenzamide structure
1016735-14-0 structure
Product Name:4-methoxy-n-(2-methyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)-3-n Itrobenzamide
CAS No:1016735-14-0
MF:C15H16N2O
MW:240.300343513489
CID:1130203
Update Time:2024-07-27

4-methoxy-n-(2-methyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)-3-n Itrobenzamide Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-n itrobenzamide
    • BENZAMIDE,3-(AMINOMETHYL)-N-(2-METHYLPHENTL)-
    • 3-(aminomethyl)-N-(2-methylphenyl)benzamide
    • BENZAMIDE, 3-(AMINOMETHYL)-N-(2-METHYLPHENYL)-
    • 4-methoxy-n-(2-methyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)-3-n Itrobenzamide
    • MDL: MFCD09808037
    • Inchi: 1S/C15H16N2O/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h2-9H,10,16H2,1H3,(H,17,18)
    • InChI Key: RYELULGCTUCFCC-UHFFFAOYSA-N
    • SMILES: C(NC1=CC=CC=C1C)(=O)C1=CC=CC(CN)=C1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4

Experimental Properties

  • Density: 1.174±0.06 g/cm3(Predicted)
  • Boiling Point: 336.3±35.0 °C(Predicted)
  • pka: 13.49±0.70(Predicted)
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