Cas no 7498-42-2 ( )

  structure
  structure
Product Name: 
CAS No:7498-42-2
MF:C15H13ClN2
MW:256.730122327805
CID:980816
PubChem ID:24201263
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 1-(pyridin-2-ylmethyl)isoquinoline,hydrochloride
    • KB-215902
    • NSC407493
    • NSC-407493
    • 1-[(Pyridin-2-yl)methyl]isoquinoline--hydrogen chloride (1/1)
    • 7498-42-2
    • 1-(PYRIDIN-2-YLMETHYL)ISOQUINOLINE HYDROCHLORIDE
    • DTXSID60639714
    •  
    • Inchi： 1S/C15H12N2.ClH/c1-2-7-14-12(5-1)8-10-17-15(14)11-13-6-3-4-9-16-13;/h1-10H,11H2;1H
    • InChI Key： IBDQZQPNVZZXDV-UHFFFAOYSA-N
    • SMILES： Cl.N1C=CC2C=CC=CC=2C=1CC1C=CC=CN=1

Computed Properties

  • Exact Mass: 220.10016
  • Monoisotopic Mass: 256.0767261g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 241
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78
  • LogP: 4.02260

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