Cas no 945593-38-4 (3,4-diamino-6-chloropyridine-2-carbonitrile)

3,4-diamino-6-chloropyridine-2-carbonitrile structure
945593-38-4 structure
Product Name:3,4-diamino-6-chloropyridine-2-carbonitrile
CAS No:945593-38-4
MF:C6H5ClN4
MW:168.583698987961
CID:1122626
PubChem ID:59218344
Update Time:2025-04-20

3,4-diamino-6-chloropyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,4-diamino-6-chloro-2-Pyridinecarbonitrile
    • 3,4-diamino-6-chloropyridine-2-carbonitrile
    • SCHEMBL1630504
    • FT-0745526
    • AKOS026727035
    • SGEKXJLVCMTVFD-UHFFFAOYSA-N
    • 3,4-diamino-6-chloropicolinonitrile
    • CS-0224415
    • EN300-119285
    • 945593-38-4
    • DA-24774
    • Inchi: 1S/C6H5ClN4/c7-5-1-3(9)6(10)4(2-8)11-5/h1H,10H2,(H2,9,11)
    • InChI Key: SGEKXJLVCMTVFD-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=C(C(C#N)=N1)N)N

Computed Properties

  • Exact Mass: 168.0202739g/mol
  • Monoisotopic Mass: 168.0202739g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 186
  • 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: 1.1
  • Topological Polar Surface Area: 88.7?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 496.1±45.0 °C at 760 mmHg
  • Flash Point: 253.8±28.7 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

3,4-diamino-6-chloropyridine-2-carbonitrile Security Information

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