Cas no 72297-05-3 (7-Aminobenzoapyrene)

7-Aminobenzoapyrene structure
7-Aminobenzoapyrene structure
Product Name:7-Aminobenzoapyrene
CAS No:72297-05-3
MF:C20H13N
MW:267.323924779892
CID:549434
PubChem ID:12553000
Update Time:2025-04-19

7-Aminobenzoapyrene Chemical and Physical Properties

Names and Identifiers

    • Benzo[a]pyren-7-amine
    • 7-Aminobenzo[a]pyrene
    • 3-[(4-Benzoylbenzoyl)amino]-D,L-alanine
    • 7-Aminobenzo[a]pyren
    • 72297-05-3
    • DTXSID60502297
    • Benzo[pqr]tetraphen-7-amine
    • FT-0661585
    • AKOS030240530
    • 7-Aminobenzoapyrene
    • Inchi: 1S/C20H13N/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11H,21H2
    • InChI Key: CYLGRLTVDYSTRG-UHFFFAOYSA-N
    • SMILES: NC1=CC=CC2=C1C=C1C=CC3=CC=CC4=CC=C2C1=C43

Computed Properties

  • Exact Mass: 267.10500
  • 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: 5.5
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Color/Form: Yellow solid
  • Density: 1.3±0.1 g/cm3
  • Melting Point: 203-204°C
  • Boiling Point: 530.0±19.0 °C at 760 mmHg
  • Flash Point: 306.0±16.8 °C
  • Refractive Index: 1.931
  • PSA: 26.02000
  • LogP: 5.90060
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

7-Aminobenzoapyrene Security Information

7-Aminobenzoapyrene Pricemore >>

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