Cas no 161468-33-3 (1-Amino-3-methylisoquinoline-4-carbonitrile)

1-Amino-3-methylisoquinoline-4-carbonitrile structure
161468-33-3 structure
Product Name:1-Amino-3-methylisoquinoline-4-carbonitrile
CAS No:161468-33-3
MF:C11H9N3
MW:183.209261655807
CID:904594
PubChem ID:11819703
Update Time:2025-04-19

1-Amino-3-methylisoquinoline-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-Amino-3-methylisoquinoline-4-carbonitrile
    • 1-AMino-3-Methyl-4-isoquinolinecarbonitrile
    • J-009832
    • AKOS006326708
    • SCHEMBL12072170
    • G66999
    • 4-Isoquinolinecarbonitrile, 1-amino-3-methyl-
    • CHEMBL3793613
    • 161468-33-3
    • DB-291332
    • DTXSID70473727
    • Inchi: 1S/C11H9N3/c1-7-10(6-12)8-4-2-3-5-9(8)11(13)14-7/h2-5H,1H3,(H2,13,14)
    • InChI Key: AKNORJGWAWWYIM-UHFFFAOYSA-N
    • SMILES: N1C(=C2C=CC=CC2=C(C#N)C=1C)N

Computed Properties

  • Exact Mass: 183.08000
  • Monoisotopic Mass: 183.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 255
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 62.7?2

Experimental Properties

  • Melting Point: 273-274°C
  • PSA: 63.43000
  • LogP: 1.92718

1-Amino-3-methylisoquinoline-4-carbonitrile Pricemore >>

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