Cas no 103879-76-1 (3-Isoxazolecarboxamide,N-(2-aminoethyl)-5-methyl-)

3-Isoxazolecarboxamide,N-(2-aminoethyl)-5-methyl- structure
103879-76-1 structure
Product Name:3-Isoxazolecarboxamide,N-(2-aminoethyl)-5-methyl-
CAS No:103879-76-1
MF:C7H11N3O2
MW:169.181141138077
CID:125914
PubChem ID:13800291
Update Time:2025-04-18

3-Isoxazolecarboxamide,N-(2-aminoethyl)-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxamide,N-(2-aminoethyl)-5-methyl-
    • 3-Isoxazolecarboxamide,N-(2-aminoethyl)-5-methyl-(9CI)
    • N-(2-aminoethyl)-5-methylisoxazole-3-carboxamide
    • AKOS010189144
    • A909267
    • 103879-76-1
    • N-(2-aminoethyl)-5-methyl-1,2-oxazole-3-carboxamide
    • SCHEMBL3507540
    • Inchi: 1S/C7H11N3O2/c1-5-4-6(10-12-5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11)
    • InChI Key: PGNJVCBZIOODND-UHFFFAOYSA-N
    • SMILES: O1C(C)=CC(C(NCCN)=O)=N1

Computed Properties

  • Exact Mass: 169.08523
  • Monoisotopic Mass: 169.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 163
  • 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: -0.5
  • Topological Polar Surface Area: 81.2?2

Experimental Properties

  • PSA: 81.15

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