Cas no 98151-92-9 (3-aminobenzo(a)pyrene)

3-aminobenzo(a)pyrene structure
3-aminobenzo(a)pyrene structure
Product Name:3-aminobenzo(a)pyrene
CAS No:98151-92-9
MF:C20H13N
MW:267.323924779892
CID:1002421
PubChem ID:127094
Update Time:2025-04-20

3-aminobenzo(a)pyrene Chemical and Physical Properties

Names and Identifiers

    • 3-aminobenzo(a)pyrene
    • Benzo(a)pyren-3-amine
    • Benzo(a)pyrene, 3-amino-
    • benzo[pqr]tetraphen-3-amine
    • 98151-92-9
    • CCRIS 7464
    • Benzo[a]pyrene, 8-amino
    • QBWLAIGPKULPQC-UHFFFAOYSA-N
    • DTXSID20913421
    • 3-AMINOBENZO[A]PYRENE
    • Inchi： 1S/C20H13N/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H,21H2
    • InChI Key： QBWLAIGPKULPQC-UHFFFAOYSA-N
    • SMILES： NC1C=CC2=CC=C3C4C=CC=CC=4C=C4C=CC=1C2=C34

Computed Properties

  • Exact Mass: 267.104799419g/mol
  • Monoisotopic Mass: 267.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 405
  • 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: 5.6
  • Topological Polar Surface Area: 26?2

3-aminobenzo(a)pyrene Related Literature

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