Cas no 500360-62-3 (2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-octyl-)

2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-octyl- structure
500360-62-3 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-octyl-
CAS No:500360-62-3
MF:C12H19IN2O2
MW:350.195935487747
CID:1555289
Update Time:2024-08-24

2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-octyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-octyl-
    • Inchi: 1S/C12H19IN2O2/c1-2-3-4-5-6-7-8-15-9-10(13)11(16)14-12(15)17/h9H,2-8H2,1H3,(H,14,16,17)
    • InChI Key: QIWXQHKFMLSQIW-UHFFFAOYSA-N
    • SMILES: C1(=O)N(CCCCCCCC)C=C(I)C(=O)N1

Computed Properties

  • Exact Mass: 350.04877

Experimental Properties

  • Density: 1.52±0.1 g/cm3(Predicted)
  • Melting Point: 151-154 °C
  • PSA: 49.41
  • pka: 8.32±0.10(Predicted)
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