Cas no 53055-18-8 (Propyl β-Aminocrotonate)

Propyl β-Aminocrotonate structure
Propyl β-Aminocrotonate structure
Product Name:Propyl β-Aminocrotonate
CAS No:53055-18-8
MF:C7H13NO2
MW:143.183622121811
CID:358145
PubChem ID:12706963
Update Time:2025-04-19

Propyl β-Aminocrotonate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 3-amino-, propyl ester
    • propyl 3-aminobut-2-enoate
    • Propyl β-Aminocrotonate
    • 53055-18-8
    • PROPYL (2Z)-3-AMINOBUT-2-ENOATE
    • propyl 3-aminocrotonate
    • AKOS006378200
    • DIWWDNJUKATEGY-WAYWQWQTSA-N
    • Propyl3-aminobut-2-enoate
    • SCHEMBL1321019
    • Propyl beta-Aminocrotonate
    • propyl (Z)-3-aminobut-2-enoate
    • 3-Amino-but-2-enoic acid propyl ester
    • n-propyl 3-aminocrotonate
    • Inchi: 1S/C7H13NO2/c1-3-4-10-7(9)5-6(2)8/h5H,3-4,8H2,1-2H3/b6-5-
    • InChI Key: DIWWDNJUKATEGY-WAYWQWQTSA-N
    • SMILES: O(C(/C=C(/C)\N)=O)CCC

Computed Properties

  • Exact Mass: 143.09469
  • Monoisotopic Mass: 143.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 141
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32

Propyl β-Aminocrotonate Pricemore >>

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