Cas no 122376-66-3 (2-Pyridineacetonitrile, a-(4-methylphenyl)-)

2-Pyridineacetonitrile, a-(4-methylphenyl)- structure
122376-66-3 structure
Product Name:2-Pyridineacetonitrile, a-(4-methylphenyl)-
CAS No:122376-66-3
MF:C14H12N2
MW:208.258482933044
CID:1214899
Update Time:2024-08-05

2-Pyridineacetonitrile, a-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridineacetonitrile, a-(4-methylphenyl)-
    • 2-Pyridineacetonitrile, α-(4-methylphenyl)-
    • Inchi: 1S/C14H12N2/c1-11-5-7-12(8-6-11)13(10-15)14-4-2-3-9-16-14/h2-9,13H,1H3
    • InChI Key: ZJMQFWHOVNOGNW-UHFFFAOYSA-N
    • SMILES: C1(C(C2=CC=C(C)C=C2)C#N)=NC=CC=C1

Computed Properties

  • Exact Mass: 208.10016

Experimental Properties

  • Density: 1.102±0.06 g/cm3(Predicted)
  • Melting Point: 106 °C
  • Boiling Point: 340.4±32.0 °C(Predicted)
  • PSA: 36.68
  • pka: 4.18±0.10(Predicted)
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