Cas no 36957-30-9 (Benzenecarboximidamide, N-hydroxy-3,4,5-trimethoxy-)

Benzenecarboximidamide, N-hydroxy-3,4,5-trimethoxy- structure
36957-30-9 structure
Product Name:Benzenecarboximidamide, N-hydroxy-3,4,5-trimethoxy-
CAS No:36957-30-9
MF:C10H14N2O4
MW:226.229162693024
CID:1480315
PubChem ID:2731142
Update Time:2025-04-21

Benzenecarboximidamide, N-hydroxy-3,4,5-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide, N-hydroxy-3,4,5-trimethoxy-
    • N-Hydroxy-3,4,5-trimethoxy-benzamidine
    • CID 2731142
    • 1648828-04-9
    • N'-hydroxy-3,4,5-trimethoxybenzimidamide
    • WNBVDBVAKULULZ-UHFFFAOYSA-N
    • 36957-30-9
    • 610255-36-2
    • N'-hydroxy-3,4,5-trimethoxybenzene-1-carboximidamide
    • Inchi: 1S/C10H14N2O4/c1-14-7-4-6(10(11)12-13)5-8(15-2)9(7)16-3/h4-5,13H,1-3H3,(H2,11,12)
    • InChI Key: WNBVDBVAKULULZ-UHFFFAOYSA-N
    • SMILES: O(C)C1C(=CC(C(=NO)N)=CC=1OC)OC

Computed Properties

  • Exact Mass: 226.09542
  • Monoisotopic Mass: 226.09535693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1
  • Topological Polar Surface Area: 86.3?2

Experimental Properties

  • PSA: 83.8

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