Cas no 2235-47-4 (Butanamide,N,N-dibutyl-3-oxo-)

Butanamide,N,N-dibutyl-3-oxo- structure
Butanamide,N,N-dibutyl-3-oxo- structure
Product Name:Butanamide,N,N-dibutyl-3-oxo-
CAS No:2235-47-4
MF:C12H23NO2
MW:213.316523790359
CID:254615
PubChem ID:243714
Update Time:2025-04-19

Butanamide,N,N-dibutyl-3-oxo- Chemical and Physical Properties

Names and Identifiers

    • Butanamide,N,N-dibutyl-3-oxo-
    • N,N-dibutyl-3-oxobutanamide
    • QYIYWUBFHJEWPO-UHFFFAOYSA-N
    • NSC53851
    • NSC 53851
    • DTXSID80288026
    • SCHEMBL2417403
    • AKOS009258802
    • N,N-DIBUTYL-3-OXO-BUTANAMIDE
    • N,N-Di-n-butylacetoacetamid
    • 2235-47-4
    • NSC-53851
    • Inchi: 1S/C12H23NO2/c1-4-6-8-13(9-7-5-2)12(15)10-11(3)14/h4-10H2,1-3H3
    • InChI Key: QYIYWUBFHJEWPO-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)=O)N(CCCC)CCCC

Computed Properties

  • Exact Mass: 213.17299
  • Monoisotopic Mass: 213.172878976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 8
  • Complexity: 194
  • 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: 2.1
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • PSA: 37.38
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