Cas no 157869-11-9 (Benzenamine, 2-[(2,4,5-trimethylphenyl)ethynyl]-)

Benzenamine, 2-[(2,4,5-trimethylphenyl)ethynyl]- structure
157869-11-9 structure
Product Name:Benzenamine, 2-[(2,4,5-trimethylphenyl)ethynyl]-
CAS No:157869-11-9
MF:C17H17N
MW:235.323584318161
CID:1336610
Update Time:2024-08-18

Benzenamine, 2-[(2,4,5-trimethylphenyl)ethynyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 2-[(2,4,5-trimethylphenyl)ethynyl]-
    • Benzenamine, 2-[2-(2,4,5-trimethylphenyl)ethynyl]-
    • Inchi: 1S/C17H17N/c1-12-10-14(3)16(11-13(12)2)9-8-15-6-4-5-7-17(15)18/h4-7,10-11H,18H2,1-3H3
    • InChI Key: DDSXGKJIBSODQP-UHFFFAOYSA-N
    • SMILES: C1(N)=CC=CC=C1C#CC1=CC(C)=C(C)C=C1C

Computed Properties

  • Exact Mass: 235.13621

Experimental Properties

  • Density: 1.08±0.1 g/cm3(Predicted)
  • Boiling Point: 409.0±45.0 °C(Predicted)
  • PSA: 26.02
  • pka: 3.04±0.10(Predicted)
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