Cas no 112698-34-7 (1-phenyl-2-(propylamino)ethanone)

1-phenyl-2-(propylamino)ethanone structure
112698-34-7 structure
Product Name:1-phenyl-2-(propylamino)ethanone
CAS No:112698-34-7
MF:C11H15NO
MW:177.242902994156
CID:2609338
PubChem ID:14234616
Update Time:2025-04-21

1-phenyl-2-(propylamino)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-phenyl-2-(propylamino)ethanone
    • SCHEMBL11137757
    • 112698-34-7
    • DTXSID60557782
    • 1-Phenyl-2-(propylamino)ethan-1-one
    • Inchi: 1S/C11H15NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
    • InChI Key: PGUWGTZPBWTGCX-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)CNCCC

Computed Properties

  • Exact Mass: 177.115364102Da
  • Monoisotopic Mass: 177.115364102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 150
  • 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: 2.1
  • Topological Polar Surface Area: 29.1?2
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