Cas no 7508-76-1 ( )

  structure
  structure
Product Name: 
CAS No:7508-76-1
MF:C9H9N3
MW:159.187861204147
MDL:MFCD18448932
CID:981317
PubChem ID:346521
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2,8-Quinolinediamine
    • quinoline-2,8-diamine
    • 2,8-Diaminochinolin
    • AC1L856J
    • NSC404778
    • NSC-404778
    • 7508-76-1
    • SCHEMBL21975961
    • DTXSID00323746
    •  
    • MDL: MFCD18448932
    • Inchi: 1S/C9H9N3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H,10H2,(H2,11,12)
    • InChI Key: OGFWMRDQOJXAGW-UHFFFAOYSA-N
    • SMILES: N1C(=CC=C2C=CC=C(C=12)N)N

Computed Properties

  • Exact Mass: 159.07977
  • Monoisotopic Mass: 159.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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: 1.2
  • Topological Polar Surface Area: 64.9?2

Experimental Properties

  • PSA: 64.93
  • LogP: 2.56160

  Pricemore >>

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