Cas no 130964-25-9 (5-Isoquinolinesulfonamide, N-[3-[(3-phenyl-2-propenyl)amino]propyl]-)

5-Isoquinolinesulfonamide, N-[3-[(3-phenyl-2-propenyl)amino]propyl]- structure
130964-25-9 structure
Product Name:5-Isoquinolinesulfonamide, N-[3-[(3-phenyl-2-propenyl)amino]propyl]-
CAS No:130964-25-9
MF:C21H23N3O2S
MW:381.491223573685
CID:1226903
Update Time:2024-08-05

5-Isoquinolinesulfonamide, N-[3-[(3-phenyl-2-propenyl)amino]propyl]- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoquinolinesulfonamide, N-[3-[(3-phenyl-2-propenyl)amino]propyl]-
    • 5-Isoquinolinesulfonamide, N-[3-[(3-phenyl-2-propen-1-yl)amino]propyl]-
    • Inchi: 1S/C21H23N3O2S/c25-27(26,21-11-4-10-19-17-23-16-12-20(19)21)24-15-6-14-22-13-5-9-18-7-2-1-3-8-18/h1-5,7-12,16-17,22,24H,6,13-15H2
    • InChI Key: BERLUEFOOCBRSA-UHFFFAOYSA-N
    • SMILES: C1C2=C(C(S(NCCCNCC=CC3=CC=CC=C3)(=O)=O)=CC=C2)C=CN=1

Computed Properties

  • Exact Mass: 381.15129

Experimental Properties

  • Density: 1.226±0.06 g/cm3(Predicted)
  • Boiling Point: 609.2±65.0 °C(Predicted)
  • PSA: 71.09
  • pka: 10.76±0.50(Predicted)

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