Cas no 4120-78-9 ( )

  structure
  structure
Product Name: 
CAS No:4120-78-9
MF:C16H13NO
MW:235.280524015427
CID:926712
PubChem ID:20073
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • N-phenanthren-3-ylacetamide
    • 3-Acetamidophenanthrene
    • 3-Acetamino-phenanthren
    • 3-Acetaminophenanthrene
    • 3-Acetylaminophenanthren
    • 3-Acetylaminophenanthrene
    • Acetamide, N-3-phenanthrenyl-
    • ACETAMIDE, N-3-PHENANTHRYL-
    • BRN 2806961
    • N-(3-Phenanthryl)acetamide
    • N-[3]Phenanthryl-acetamid
    • N-[3]phenanthryl-acetamide
    • N-3-phenanthrenyl-acetamide
    • N-3-Phenanthrenylacetamide
    • N-3-Phenanthrylacetamide
    • N-Acetyl-phenanthrylamin-(3)
    • DTXSID30194123
    • NSC141584
    • UNII-J8S9UC5ZUW
    • 4120-78-9
    • 4-12-00-03442 (Beilstein Handbook Reference)
    • DB-320354
    • 2-acetylaminophenan-threne
    • J8S9UC5ZUW
    • NSC-141584
    • AKOS024340419
    • SCHEMBL3952992
    • WLN: L B666J DMV1
    • NSC 141584
    • FSGXZFQZAIBEDS-UHFFFAOYSA-N
    •  
    • Inchi: 1S/C16H13NO/c1-11(18)17-14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3,(H,17,18)
    • InChI Key: FSGXZFQZAIBEDS-UHFFFAOYSA-N
    • SMILES: O=C(C)NC1=CC=C2C=CC3C=CC=CC=3C2=C1

Computed Properties

  • Exact Mass: 235.09979
  • Monoisotopic Mass: 235.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 314
  • 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: 29.1?2

Experimental Properties

  • PSA: 29.1
  • LogP: 4.02440
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