Cas no 130964-65-7 (5-Isoquinolinesulfonamide,N-[2-[bis[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-)

5-Isoquinolinesulfonamide,N-[2-[bis[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]- structure
130964-65-7 structure
Product Name:5-Isoquinolinesulfonamide,N-[2-[bis[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-
CAS No:130964-65-7
MF:C29H27Cl2N3O2S
MW:552.514583826065
CID:1226914
Update Time:2024-08-05

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

Names and Identifiers

    • 5-Isoquinolinesulfonamide,N-[2-[bis[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-
    • 5-Isoquinolinesulfonamide, N-[2-[bis[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-
    • Inchi: 1S/C29H27Cl2N3O2S/c30-26-12-8-23(9-13-26)4-2-19-34(20-3-5-24-10-14-27(31)15-11-24)21-18-33-37(35,36)29-7-1-6-25-22-32-17-16-28(25)29/h1-17,22,33H,18-21H2
    • InChI Key: KIEJRFXIVYHUEA-UHFFFAOYSA-N
    • SMILES: C1C2=C(C(S(NCCN(CC=CC3=CC=C(Cl)C=C3)CC=CC3=CC=C(Cl)C=C3)(=O)=O)=CC=C2)C=CN=1

Computed Properties

  • Exact Mass: 551.12041

Experimental Properties

  • Density: 1.319±0.06 g/cm3(Predicted)
  • Boiling Point: 737.3±70.0 °C(Predicted)
  • PSA: 62.3
  • pka: 10.30±0.50(Predicted)
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