Cas no 4088-42-0 (1-Octanamine, N-butyl-)

1-Octanamine, N-butyl-, is a secondary amine with the molecular formula C??H??N. It is characterized by its hydrophobic alkyl chains, which contribute to its solubility in organic solvents and limited solubility in water. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of surfactants, corrosion inhibitors, and specialty chemicals. Its structure allows for functionalization, making it a versatile building block in fine chemical manufacturing. The presence of both octyl and butyl groups enhances its compatibility with nonpolar matrices, facilitating applications in formulations requiring tailored lipophilicity. Proper handling is advised due to its potential reactivity as an amine.
1-Octanamine, N-butyl- structure
1-Octanamine, N-butyl- structure
Product Name:1-Octanamine, N-butyl-
CAS No:4088-42-0
MF:C12H27N
MW:185.349483728409
CID:1515555
PubChem ID:3359880
Update Time:2025-06-07

1-Octanamine, N-butyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Octanamine, N-butyl-
    • AKOS002632657
    • DTXSID801315347
    • butyl-octyl-amine
    • N-Butyl-1-octanamine
    • butyloctylamine
    • SCHEMBL847613
    • N-butyl-N-octylamine
    • N-butyloctan-1-amine
    • 4088-42-0
    • DBIJGSRXWPQTLH-UHFFFAOYSA-N
    • Inchi: 1S/C12H27N/c1-3-5-7-8-9-10-12-13-11-6-4-2/h13H,3-12H2,1-2H3
    • InChI Key: DBIJGSRXWPQTLH-UHFFFAOYSA-N
    • SMILES: N(CCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 185.21451
  • Monoisotopic Mass: 185.214349865g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 10
  • Complexity: 81.2
  • 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: 5
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03

1-Octanamine, N-butyl- Pricemore >>

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