Cas no 55559-77-8 (1,2-Butanediol, 4-(6-amino-9H-purin-9-yl)-)

1,2-Butanediol, 4-(6-amino-9H-purin-9-yl)- structure
55559-77-8 structure
Product Name:1,2-Butanediol, 4-(6-amino-9H-purin-9-yl)-
CAS No:55559-77-8
MF:C9H13N5O2
MW:223.231820821762
CID:351546
Update Time:2024-01-28

1,2-Butanediol, 4-(6-amino-9H-purin-9-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Butanediol, 4-(6-amino-9H-purin-9-yl)-
    • Inchi： 1S/C9H13N5O2/c10-8-7-9(12-4-11-8)14(5-13-7)2-1-6(16)3-15/h4-6,15-16H,1-3H2,(H2,10,11,12)
    • InChI Key： SJTGBHCHRMNUPZ-UHFFFAOYSA-N
    • SMILES： C(O)C(O)CCN1C2C(N=C1)=C(N)N=CN=2

Computed Properties

  • Exact Mass: 223.10709

Experimental Properties

  • Density: 1.63±0.1 g/cm3(Predicted)
  • Boiling Point: 567.3±60.0 °C(Predicted)
  • PSA: 110.08
  • pka: 14.12±0.20(Predicted)

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