Cas no 130964-60-2 (5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl-)

5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl- structure
130964-60-2 structure
Product Name:5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl-
CAS No:130964-60-2
MF:C21H22ClN3O2S
MW:415.936282634735
CID:1227049
Update Time:2024-08-05

5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl-
    • 5-Isoquinolinesulfonamide, N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-N-methyl-
    • Inchi: 1S/C21H22ClN3O2S/c1-25(15-14-23-12-3-4-17-7-9-19(22)10-8-17)28(26,27)21-6-2-5-18-16-24-13-11-20(18)21/h2-11,13,16,23H,12,14-15H2,1H3
    • InChI Key: GSTBJLDFUKPCPI-UHFFFAOYSA-N
    • SMILES: C1C2=C(C(S(N(CCNCC=CC3=CC=C(Cl)C=C3)C)(=O)=O)=CC=C2)C=CN=1

Computed Properties

  • Exact Mass: 415.11236

Experimental Properties

  • Density: 1.293±0.06 g/cm3(Predicted)
  • Boiling Point: 621.5±65.0 °C(Predicted)
  • PSA: 62.3
  • pka: 8.38±0.19(Predicted)

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