Cas no 646058-54-0 (Benz[a]anthracen-3-amine)

Benz[a]anthracen-3-amine structure
Benz[a]anthracen-3-amine structure
Product Name:Benz[a]anthracen-3-amine
CAS No:646058-54-0
MF:C18H13N
MW:243.302524328232
CID:421607
PubChem ID:60042381
Update Time:2025-04-19

Benz[a]anthracen-3-amine Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracen-3-amine
    • benzo[a]anthracen-3-amine
    • 646058-54-0
    • SCHEMBL5012451
    • TETRAPHEN-3-AMINE
    • DTXSID30733531
    • Inchi： 1S/C18H13N/c19-16-7-8-17-15(10-16)6-5-14-9-12-3-1-2-4-13(12)11-18(14)17/h1-11H,19H2
    • InChI Key： ILYMSWPTJXADLD-UHFFFAOYSA-N
    • SMILES： NC1C=CC2=C(C=1)C=CC1=CC3C=CC=CC=3C=C21

Computed Properties

  • Exact Mass: 243.10489
  • Monoisotopic Mass: 243.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 326
  • 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: 4.8
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.02

Benz[a]anthracen-3-amine Related Literature

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