Cas no 127754-93-2 (1-Tetradecanone, 1-(1H-pyrrol-2-yl)-)

1-Tetradecanone, 1-(1H-pyrrol-2-yl)- structure
127754-93-2 structure
Product Name:1-Tetradecanone, 1-(1H-pyrrol-2-yl)-
CAS No:127754-93-2
MF:C18H31NO
MW:277.444845438004
CID:1221960
Update Time:2024-08-05

1-Tetradecanone, 1-(1H-pyrrol-2-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Tetradecanone, 1-(1H-pyrrol-2-yl)-
    • Inchi: 1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)17-14-13-16-19-17/h13-14,16,19H,2-12,15H2,1H3
    • InChI Key: GJCLBMIYLKPPAV-UHFFFAOYSA-N
    • SMILES: C(C1=CC=CN1)(=O)CCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 122.06064

Experimental Properties

  • Density: 0.932±0.06 g/cm3(Predicted)
  • Boiling Point: 402.9±18.0 °C(Predicted)
  • PSA: 29.96
  • pka: 15.30±0.50(Predicted)

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