Cas no 162210-44-8 (Phosphonic acid, [(4-aminophenyl)methyl]-, dimethyl ester)

Phosphonic acid, [(4-aminophenyl)methyl]-, dimethyl ester structure
162210-44-8 structure
Product Name:Phosphonic acid, [(4-aminophenyl)methyl]-, dimethyl ester
CAS No:162210-44-8
MF:C9H14NO3P
MW:215.186123371124
CID:1342796
PubChem ID:12843961
Update Time:2025-04-20

Phosphonic acid, [(4-aminophenyl)methyl]-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, [(4-aminophenyl)methyl]-, dimethyl ester
    • 4-(dimethoxyphosphorylmethyl)aniline
    • DTXSID70511299
    • SCHEMBL914693
    • 162210-44-8
    • GWNBUCLFNJHKNP-UHFFFAOYSA-N
    • dimethyl 4-aminobenzylphosphonate
    • Dimethyl [(4-aminophenyl)methyl]phosphonate
    • Inchi: 1S/C9H14NO3P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h3-6H,7,10H2,1-2H3
    • InChI Key: GWNBUCLFNJHKNP-UHFFFAOYSA-N
    • SMILES: P(CC1C=CC(=CC=1)N)(=O)(OC)OC

Computed Properties

  • Exact Mass: 215.07122
  • Monoisotopic Mass: 215.07113031g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 206
  • 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: 0.3
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • PSA: 61.55

Phosphonic acid, [(4-aminophenyl)methyl]-, dimethyl ester Related Literature

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