Cas no 37436-46-7 (Benzo[f]quinazoline-1,3-diamine,8-chloro-5,6-dihydro-)

Benzo[f]quinazoline-1,3-diamine,8-chloro-5,6-dihydro- structure
37436-46-7 structure
Product Name:Benzo[f]quinazoline-1,3-diamine,8-chloro-5,6-dihydro-
CAS No:37436-46-7
MF:C12H11ClN4
MW:246.69554066658
CID:320545
PubChem ID:485069
Update Time:2025-04-19

Benzo[f]quinazoline-1,3-diamine,8-chloro-5,6-dihydro- Chemical and Physical Properties

Names and Identifiers

    • Benzo[f]quinazoline-1,3-diamine,8-chloro-5,6-dihydro-
    • 8-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
    • 8-Chloro-5,6-dihydro-benzo(f)quinazoline-1,3-diamine
    • DTXSID50190884
    • SCHEMBL8261591
    • 37436-46-7
    • 8-Chloro-5,6-dihydro-benzo[f]quinazoline-1,3-diamine
    • A823827
    • PY 468
    • Inchi: 1S/C12H11ClN4/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(14)17-12(15)16-9/h2-3,5H,1,4H2,(H4,14,15,16,17)
    • InChI Key: UYKSKDXJWWHFGJ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2C3=C(N)N=C(N)N=C3CCC=2C=1

Computed Properties

  • Exact Mass: 246.06743
  • Monoisotopic Mass: 246.067224
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 288
  • 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
  • Topological Polar Surface Area: 77.8
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.459
  • Boiling Point: 569.7°Cat760mmHg
  • Flash Point: 298.4°C
  • Refractive Index: 1.736
  • PSA: 77.82
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