Cas no 656226-84-5 (2-Thiophenecarboxylic acid,5-[6-[[(3-pyridinylmethyl)amino]methyl]-2-pyridinyl]-)

2-Thiophenecarboxylic acid,5-[6-[[(3-pyridinylmethyl)amino]methyl]-2-pyridinyl]- structure
656226-84-5 structure
Product Name:2-Thiophenecarboxylic acid,5-[6-[[(3-pyridinylmethyl)amino]methyl]-2-pyridinyl]-
CAS No:656226-84-5
MF:C17H15N3O2S
MW:325.384902238846
CID:1694117
Update Time:2024-09-03

2-Thiophenecarboxylic acid,5-[6-[[(3-pyridinylmethyl)amino]methyl]-2-pyridinyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid,5-[6-[[(3-pyridinylmethyl)amino]methyl]-2-pyridinyl]-
    • 2-Thiophenecarboxylic acid, 5-[6-[[(3-pyridinylmethyl)amino]methyl]-2-pyridinyl]-
    • Inchi: 1S/C17H15N3O2S/c21-17(22)16-7-6-15(23-16)14-5-1-4-13(20-14)11-19-10-12-3-2-8-18-9-12/h1-9,19H,10-11H2,(H,21,22)
    • InChI Key: RMZXBDPSTFHINH-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)SC(C2=NC(CNCC3=CC=CN=C3)=CC=C2)=CC=1

Computed Properties

  • Exact Mass: 325.08865

Experimental Properties

  • Density: 1.325±0.06 g/cm3(Predicted)
  • Boiling Point: 543.6±50.0 °C(Predicted)
  • PSA: 75.11
  • pka: 3.02±0.10(Predicted)
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