Cas no 93843-34-6 (octanoic acid, compound with isononylamine (1:1))

octanoic acid, compound with isononylamine (1:1) structure
93843-34-6 structure
Product Name:octanoic acid, compound with isononylamine (1:1)
CAS No:93843-34-6
MF:C17H37NO2
MW:287.481185674667
CID:1983366
PubChem ID:44146027
Update Time:2025-04-21

octanoic acid, compound with isononylamine (1:1) Chemical and Physical Properties

Names and Identifiers

    • octanoic acid, compound with isononylamine (1:1)
    • 7-methyloctan-1-amine,octanoic acid
    • DTXSID90917496
    • Octanoic acid--7-methyloctan-1-amine (1/1)
    • 93843-34-6
    • EINECS 299-113-8
    • Inchi: 1S/C9H21N.C8H16O2/c1-9(2)7-5-3-4-6-8-10;1-2-3-4-5-6-7-8(9)10/h9H,3-8,10H2,1-2H3;2-7H2,1H3,(H,9,10)
    • InChI Key: QPZAYZUVYFGYCN-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCC)=O.NCCCCCCC(C)C

Computed Properties

  • Exact Mass: 287.282
  • Monoisotopic Mass: 287.282
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 12
  • Complexity: 149
  • 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
  • Topological Polar Surface Area: 63.3A^2
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