Cas no 2452-14-4 (Butanoic acid,2-ethyl-, sodium salt (1:1))

Butanoic acid,2-ethyl-, sodium salt (1:1) structure
2452-14-4 structure
Product Name:Butanoic acid,2-ethyl-, sodium salt (1:1)
CAS No:2452-14-4
MF:C6H11NaO2
MW:138.140113115311
CID:282679
PubChem ID:23663635
Update Time:2025-04-19

Butanoic acid,2-ethyl-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-ethyl-, sodium salt (1:1)
    • sodium,2-ethylbutanoate
    • Sodium 2-ethylbutyrate
    • 2452-14-4
    • sodium diethylacetate
    • DTXSID70179272
    • BLSRNVDCHVKXSO-UHFFFAOYSA-M
    • NS00082363
    • SCHEMBL3892346
    • EINECS 219-519-0
    • Inchi: 1S/C6H12O2.Na/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
    • InChI Key: BLSRNVDCHVKXSO-UHFFFAOYSA-M
    • SMILES: [Na+].[O-]C(C(CC)CC)=O

Computed Properties

  • Exact Mass: 138.06573
  • Monoisotopic Mass: 138.06567387g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 79.1
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.1?2

Experimental Properties

  • PSA: 40.13
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