Cas no 50697-87-5 (2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester)

2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester structure
50697-87-5 structure
Product Name:2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester
CAS No:50697-87-5
MF:C6H11NO3
MW:145.156441926956
CID:364254
PubChem ID:71366473
Update Time:2025-04-19

2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester
    • methyl 3-amino-3-ethoxyprop-2-enoate
    • SCHEMBL11623721
    • 50697-87-5
    • 3-amino-3-ethoxyacrylic acid methyl ester
    • DTXSID50789833
    • BXHXCLSRWTYWNA-UHFFFAOYSA-N
    • Inchi: 1S/C6H11NO3/c1-3-10-5(7)4-6(8)9-2/h4H,3,7H2,1-2H3
    • InChI Key: BXHXCLSRWTYWNA-UHFFFAOYSA-N
    • SMILES: O(C(=CC(=O)OC)N)CC

Computed Properties

  • Exact Mass: 145.07393
  • Monoisotopic Mass: 145.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 142
  • 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: 0.8
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • PSA: 61.55
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