Cas no 805958-09-2 (1,3-Phenanthrenediamine,9-methyl-)

1,3-Phenanthrenediamine,9-methyl- structure
805958-09-2 structure
Product Name:1,3-Phenanthrenediamine,9-methyl-
CAS No:805958-09-2
MF:C15H14N2
MW:222.285063266754
CID:714732
Update Time:2022-07-26

1,3-Phenanthrenediamine,9-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Phenanthrenediamine,9-methyl-
    • 1,3-Phenanthrenediamine,9-methyl-(9CI)
    • 1,3-Phenanthrenediamine, 9-methyl-
    • Inchi: 1S/C15H14N2/c1-9-6-14-13(7-10(16)8-15(14)17)12-5-3-2-4-11(9)12/h2-8H,16-17H2,1H3
    • InChI Key: MSZVNBREDPCJAF-UHFFFAOYSA-N
    • SMILES: C1(N)=C2C(C3C(C(C)=C2)=CC=CC=3)=CC(N)=C1

Computed Properties

  • Exact Mass: 222.116
  • Monoisotopic Mass: 222.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • 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
  • Topological Polar Surface Area: 52A^2
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