Cas no 21477-63-4 (3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI))

3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI) structure
21477-63-4 structure
Product Name:3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI)
CAS No:21477-63-4
MF:C6H11NO
MW:113.157641649246
CID:249786
PubChem ID:45085038
Update Time:2025-04-19

3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI)
    • (Z)-4-Ethylamino-but-3-en-2-one
    • 3-Buten-2-one, 4-(ethylamino)-, (Z)-
    • AKOS006375025
    • 21477-63-4
    • DTXSID901289614
    • Inchi: 1S/C6H11NO/c1-3-7-5-4-6(2)8/h4-5,7H,3H2,1-2H3/b5-4-
    • InChI Key: SHEHJLABVDANKX-PLNGDYQASA-N
    • SMILES: O=C(C)/C=C\NCC

Computed Properties

  • Exact Mass: 113.08413
  • Monoisotopic Mass: 113.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 96.7
  • 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
  • Topological Polar Surface Area: 29.1A^2
  • XLogP3: 1.1

Experimental Properties

  • PSA: 29.1

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