Cas no 344340-76-7 (1,4-Benzodioxin-5,8-diamine, 2,3-dihydro-)

1,4-Benzodioxin-5,8-diamine, 2,3-dihydro- structure
344340-76-7 structure
Product Name:1,4-Benzodioxin-5,8-diamine, 2,3-dihydro-
CAS No:344340-76-7
MF:C8H10N2O2
MW:166.177201747894
CID:1461948
PubChem ID:9855569
Update Time:2025-04-20

1,4-Benzodioxin-5,8-diamine, 2,3-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzodioxin-5,8-diamine, 2,3-dihydro-
    • SCHEMBL130553
    • 2,3-Dihydrobenzo[b][1,4]dioxine-5,8-diamine
    • 344340-76-7
    • Inchi: 1S/C8H10N2O2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-2H,3-4,9-10H2
    • InChI Key: OBTGBAVJKZORLW-UHFFFAOYSA-N
    • SMILES: O1CCOC2C(=CC=C(C1=2)N)N

Computed Properties

  • Exact Mass: 166.0743
  • Monoisotopic Mass: 166.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 147
  • 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: 0.3
  • Topological Polar Surface Area: 70.5?2

Experimental Properties

  • PSA: 70.5
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