Cas no 5065-82-7 (2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester)

2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester structure
5065-82-7 structure
Product Name:2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester
CAS No:5065-82-7
MF:C8H15NO3
MW:173.209602594376
CID:2829435
PubChem ID:5235449
Update Time:2025-04-21

2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester
    • 5065-82-7
    • DTXSID80412122
    • Inchi: 1S/C8H15NO3/c1-3-12-8(11)6-7(2)9-4-5-10/h6,9-10H,3-5H2,1-2H3
    • InChI Key: CUGCWSPLYQOCSG-UHFFFAOYSA-N
    • SMILES: O(CC)C(C=C(C)NCCO)=O

Computed Properties

  • Exact Mass: 173.10519334Da
  • Monoisotopic Mass: 173.10519334Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 166
  • 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: 0.9
  • Topological Polar Surface Area: 58.6?2

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