Cas no 111875-81-1 (4-(nonylamino)-4-oxobutanoic acid)

4-(nonylamino)-4-oxobutanoic acid structure
111875-81-1 structure
Product Name:4-(nonylamino)-4-oxobutanoic acid
CAS No:111875-81-1
MF:C13H25NO3
MW:243.342504262924
CID:2607504
PubChem ID:454082
Update Time:2025-04-21

4-(nonylamino)-4-oxobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(nonylamino)-4-oxobutanoic acid
    • 4-nonylamino-4-oxobutyric acid
    • 3NonNHCO prop acid
    • DTXSID70332385
    • 3-(Nonylaminocarbonyl)propionic acid
    • 4-(nonylamino)-4-oxo-butanoic acid
    • 111875-81-1
    • TUEUEHBVNSTCIN-UHFFFAOYSA-N
    • Butanoic acid, 4-(nonylamino)-4-oxo-
    • AKOS003847671
    • AMD4/5
    • SCHEMBL10686810
    • DB-205263
    • Inchi: 1S/C13H25NO3/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
    • InChI Key: TUEUEHBVNSTCIN-UHFFFAOYSA-N
    • SMILES: O=C(CCC(=O)O)NCCCCCCCCC

Computed Properties

  • Exact Mass: 243.18344366Da
  • Monoisotopic Mass: 243.18344366Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 11
  • Complexity: 217
  • 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: 2.9
  • Topological Polar Surface Area: 66.4?2
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