Cas no 33459-64-2 (Tetrazolo[1,5-b]isoquinoline)

Tetrazolo[1,5-b]isoquinoline structure
Tetrazolo[1,5-b]isoquinoline structure
Product Name:Tetrazolo[1,5-b]isoquinoline
CAS No:33459-64-2
MF:C9H6N4
MW:170.170740604401
CID:1457929
Update Time:2024-08-23

Tetrazolo[1,5-b]isoquinoline Chemical and Physical Properties

Names and Identifiers

    • Tetrazolo[1,5-b]isoquinoline
    • Inchi: 1S/C9H6N4/c1-2-4-8-6-13-9(10-11-12-13)5-7(8)3-1/h1-6H
    • InChI Key: JUVBOYIWPCCZGV-UHFFFAOYSA-N
    • SMILES: C1=C2C(C=CC=C2)=CC2=NN=NN12

Computed Properties

  • Exact Mass: 170.05938

Experimental Properties

  • Density: 1.45±0.1 g/cm3(Predicted)
  • Melting Point: 122 °C(Solv: methanol (67-56-1); water (7732-18-5))
  • PSA: 43.08
  • pka: 0.80±0.30(Predicted)
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