Cas no 479645-82-4 (ethyl 4-3-(aminomethyl)phenylbenzoate)

ethyl 4-3-(aminomethyl)phenylbenzoate structure
479645-82-4 structure
Product Name:ethyl 4-3-(aminomethyl)phenylbenzoate
CAS No:479645-82-4
MF:C16H17NO2
MW:255.311684370041
CID:931648
PubChem ID:53428718
Update Time:2025-04-19

ethyl 4-3-(aminomethyl)phenylbenzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 3'-(aminomethyl)biphenyl-4-carboxylate
    • ethyl 4-[3-(aminomethyl)phenyl]benzoate
    • AG-F-63310
    • CTK4J0520
    • ethyl 4-3-(aminomethyl)phenylbenzoate
    • DTXSID80699855
    • Ethyl 3'-(aminomethyl)[1,1'-biphenyl]-4-carboxylate
    • EN300-18691693
    • ETHYL 3'-(AMINOMETHYL)-[1,1'-BIPHENYL]-4-CARBOXYLATE
    • 479645-82-4
    • Inchi: 1S/C16H17NO2/c1-2-19-16(18)14-8-6-13(7-9-14)15-5-3-4-12(10-15)11-17/h3-10H,2,11,17H2,1H3
    • InChI Key: LGZZAHVAHRCHBS-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(=CC=1)C1=CC=CC(CN)=C1)=O

Computed Properties

  • Exact Mass: 255.12600
  • Monoisotopic Mass: 255.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 285
  • 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
  • Topological Polar Surface Area: 52.3A^2
  • XLogP3: 2.6

Experimental Properties

  • PSA: 52.32000
  • LogP: 3.68930

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