Cas no 181185-06-8 (3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-5-undecyl-)

3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-5-undecyl- structure
181185-06-8 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-5-undecyl-
CAS No:181185-06-8
MF:C20H30N2O
MW:314.465005397797
CID:1380709
Update Time:2024-08-16

3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-5-undecyl- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-5-undecyl-
    • Inchi: 1S/C20H30N2O/c1-2-3-4-5-6-7-8-9-11-14-18-17-20(23)22(21-18)19-15-12-10-13-16-19/h10,12-13,15-16H,2-9,11,14,17H2,1H3
    • InChI Key: SFXDRGWDARBDQZ-UHFFFAOYSA-N
    • SMILES: N1=C(CCCCCCCCCCC)CC(=O)N1C1=CC=CC=C1

Computed Properties

  • Exact Mass: 314.236

Experimental Properties

  • Density: 1.01±0.1 g/cm3(Predicted)
  • Boiling Point: 457.5±14.0 °C(Predicted)
  • PSA: 32.67
  • pka: 2.83±0.50(Predicted)
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