Cas no 16470-03-4 (2,4,7-Pteridinetriamine,6-(3,4-dichlorophenyl)-)

2,4,7-Pteridinetriamine,6-(3,4-dichlorophenyl)- structure
16470-03-4 structure
Product Name:2,4,7-Pteridinetriamine,6-(3,4-dichlorophenyl)-
CAS No:16470-03-4
MF:C12H9Cl2N7
MW:322.152758359909
CID:230464
PubChem ID:315371
Update Time:2025-04-19

2,4,7-Pteridinetriamine,6-(3,4-dichlorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4,7-Pteridinetriamine,6-(3,4-dichlorophenyl)-
    • 6-(3,4-dichlorophenyl)pteridine-2,4,7-triamine
    • 6-(3,4-dichloro-phenyl)-pteridine-2,4,7-triamine
    • 6-(3,4-Dichlor-phenyl)-2,4,7-triamino-pteridin
    • AC1L7RK9
    • NSC240509
    • 16470-03-4
    • NSC-240509
    • DTXSID50311219
    • NSC 240509
    • Inchi: 1S/C12H9Cl2N7/c13-5-2-1-4(3-6(5)14)7-9(15)19-11-8(18-7)10(16)20-12(17)21-11/h1-3H,(H6,15,16,17,19,20,21)
    • InChI Key: WIMZXSZGSQNCEQ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)C1C(N)=NC2=C(C(N)=NC(N)=N2)N=1)Cl

Computed Properties

  • Exact Mass: 321.02997
  • Monoisotopic Mass: 321.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 374
  • 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: 2.2
  • Topological Polar Surface Area: 130?2

Experimental Properties

  • Density: 1.673
  • Boiling Point: 615.4°C at 760 mmHg
  • Flash Point: 326°C
  • Refractive Index: 1.816
  • PSA: 129.62
  • LogP: 3.88380
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