Cas no 112088-72-9 (7H-Purine, 6-chloro-7-[(4-chlorophenyl)methyl]-)

7H-Purine, 6-chloro-7-[(4-chlorophenyl)methyl]- structure
112088-72-9 structure
Product Name:7H-Purine, 6-chloro-7-[(4-chlorophenyl)methyl]-
CAS No:112088-72-9
MF:C12H8Cl2N4
MW:279.124719619751
CID:1203588
Update Time:2024-08-05

7H-Purine, 6-chloro-7-[(4-chlorophenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 7H-Purine, 6-chloro-7-[(4-chlorophenyl)methyl]-
    • Inchi: 1S/C12H8Cl2N4/c13-9-3-1-8(2-4-9)5-18-7-17-12-10(18)11(14)15-6-16-12/h1-4,6-7H,5H2
    • InChI Key: RHWMPWFXBIODHU-UHFFFAOYSA-N
    • SMILES: N1(CC2=CC=C(Cl)C=C2)C2C(=NC=NC=2Cl)N=C1

Computed Properties

  • Exact Mass: 278.01284

Experimental Properties

  • Density: 1.51±0.1 g/cm3(Predicted)
  • Melting Point: 168-170 °C
  • Boiling Point: 466.9±55.0 °C(Predicted)
  • PSA: 43.6
  • pka: 0.28±0.30(Predicted)

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