Cas no 998-90-3 (methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate)

methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate structure
998-90-3 structure
Product Name:methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate
CAS No:998-90-3
MF:C6H9N3O4
MW:187.153361082077
CID:1992881
Update Time:2024-12-25

methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate Chemical and Physical Properties

Names and Identifiers

    • methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate
    • 3-[[(Methyl-aci-nitro)acetyl]amino]propenamide
    • 3-[[(Methyl-aci-nitro)acetyl]amino]-2-propenamide
    • 3-[[2-(Methyl-aci-nitro)acetyl]amino]acrylamide
    • 3-[2-(Methyl-aci-nitro)acetylamino]acrylamide
    • Enteromycin carboxamide
    • Enteromycin-carboxamid
    • Inchi： InChI=1S/C6H9N3O4/c1-13-9(12)4-6(11)8-3-2-5(7)10/h2-4H,1H3,(H2,7,10)(H,8,11)/b3-2+,9-4?
    • InChI Key： WWUHEQGWFDDSQX-MFNQIRJZSA-N
    • SMILES： CON(=O)=CC(=O)N\C=C\C(N)=O

Computed Properties

  • Exact Mass: 187.059306
  • Monoisotopic Mass: 187.059306
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 259
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 110

Experimental Properties

  • Density: 1.305
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.536

methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate Related Literature

Related Categories

998-90-3 (methyl [(1E)-2-{[(1E)-3-amino-3-oxoprop-1-en-1-yl]amino}-2-oxoethylidene]azinate) Related Products

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