Cas no 61519-67-3 (Phosphonic acid, [(3-aminophenyl)methyl]-)

Phosphonic acid, [(3-aminophenyl)methyl]- structure
61519-67-3 structure
Product Name:Phosphonic acid, [(3-aminophenyl)methyl]-
CAS No:61519-67-3
MF:C7H10NO3P
MW:187.132962703705
CID:476374
PubChem ID:15930816
Update Time:2025-04-19

Phosphonic acid, [(3-aminophenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, [(3-aminophenyl)methyl]-
    • (3-aminophenyl)methylphosphonic acid
    • DTXSID60579742
    • 61519-67-3
    • SCHEMBL2637300
    • [(3-Aminophenyl)methyl]phosphonic acid
    • Inchi: 1S/C7H10NO3P/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
    • InChI Key: KYSQEYOQLJTLLO-UHFFFAOYSA-N
    • SMILES: P(CC1C=CC=C(C=1)N)(=O)(O)O

Computed Properties

  • Exact Mass: 187.0399
  • Monoisotopic Mass: 187.03983018g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: -1.2
  • Topological Polar Surface Area: 83.6?2

Experimental Properties

  • PSA: 83.55
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