Cas no 61626-12-8 (1,10-Phenanthroline, 2,5,9-trimethyl-)

1,10-Phenanthroline, 2,5,9-trimethyl- structure
61626-12-8 structure
Product Name:1,10-Phenanthroline, 2,5,9-trimethyl-
CAS No:61626-12-8
MF:C15H14N2
MW:222.285063266754
CID:472312
PubChem ID:14256404
Update Time:2025-04-19

1,10-Phenanthroline, 2,5,9-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,10-Phenanthroline, 2,5,9-trimethyl-
    • 2,5,9-trimethyl-1,10-phenanthroline
    • DTXSID00558091
    • SCHEMBL3225066
    • 61626-12-8
    • Inchi: 1S/C15H14N2/c1-9-8-12-6-4-10(2)16-14(12)15-13(9)7-5-11(3)17-15/h4-8H,1-3H3
    • InChI Key: JGKOXUBKIHYWNL-UHFFFAOYSA-N
    • SMILES: N1C(C)=CC=C2C(C)=CC3=CC=C(C)N=C3C=12

Computed Properties

  • Exact Mass: 222.11582
  • Monoisotopic Mass: 222.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 278
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78
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