Cas no 58046-12-1 (dimethyl phenylphosphoramidate)

dimethyl phenylphosphoramidate structure
58046-12-1 structure
Product Name:dimethyl phenylphosphoramidate
CAS No:58046-12-1
MF:C8H12NO3P
MW:201.159543037415
CID:1608210
PubChem ID:185901
Update Time:2025-04-21

dimethyl phenylphosphoramidate Chemical and Physical Properties

Names and Identifiers

    • dimethyl phenylphosphoramidate
    • N-dimethoxyphosphorylaniline
    • SCHEMBL11911533
    • dimethyl N-phenylphosphoramidate
    • 58046-12-1
    • DTXSID40206766
    • Inchi: 1S/C8H12NO3P/c1-11-13(10,12-2)9-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,9,10)
    • InChI Key: HZUANBCIIRHZIQ-UHFFFAOYSA-N
    • SMILES: P(NC1C=CC=CC=1)(=O)(OC)OC

Computed Properties

  • Exact Mass: 201.05556
  • Monoisotopic Mass: 201.05548024g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 184
  • 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: 1.3
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • PSA: 47.56
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