Cas no 748104-67-8 (Ethanone,1-[3-(aminomethyl)phenyl]-)

Ethanone,1-[3-(aminomethyl)phenyl]- structure
748104-67-8 structure
Product Name:Ethanone,1-[3-(aminomethyl)phenyl]-
CAS No:748104-67-8
MF:C9H11NO
MW:149.189742326736
CID:561045
PubChem ID:10773883
Update Time:2025-04-19

Ethanone,1-[3-(aminomethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[3-(aminomethyl)phenyl]-
    • Ethanone, 1-[3-(aminomethyl)phenyl]- (9CI)
    • 1-[3-(Aminomethyl)phenyl]ethanone
    • 1-(3-(Aminomethyl)phenyl)ethanone
    • EN300-183899
    • 1-[3-(aminomethyl)phenyl]ethan-1-one
    • 748104-67-8
    • 3-acetylbenzylamine, AldrichCPR
    • SCHEMBL2642751
    • AKOS006279165
    • Inchi: 1S/C9H11NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3
    • InChI Key: SHKCBAQWXPAPLI-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CC=CC(CN)=C1

Computed Properties

  • Exact Mass: 149.084063974g/mol
  • Monoisotopic Mass: 149.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 145
  • 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: 0.5
  • Topological Polar Surface Area: 43.1?2
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