Cas no 89434-20-8 (2-Heptanone, 1-(dibutylamino)-)

2-Heptanone, 1-(dibutylamino)- structure
89434-20-8 structure
Product Name:2-Heptanone, 1-(dibutylamino)-
CAS No:89434-20-8
MF:C15H31NO
MW:241.412744760513
CID:600995
PubChem ID:71324155
Update Time:2025-04-19

2-Heptanone, 1-(dibutylamino)- Chemical and Physical Properties

Names and Identifiers

    • 2-Heptanone, 1-(dibutylamino)-
    • 1-(dibutylamino)heptan-2-one
    • DTXSID90753659
    • 89434-20-8
    • Inchi: 1S/C15H31NO/c1-4-7-10-11-15(17)14-16(12-8-5-2)13-9-6-3/h4-14H2,1-3H3
    • InChI Key: SYHPKPICTPEFII-UHFFFAOYSA-N
    • SMILES: O=C(CCCCC)CN(CCCC)CCCC

Computed Properties

  • Exact Mass: 241.240564612g/mol
  • Monoisotopic Mass: 241.240564612g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 12
  • Complexity: 172
  • 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: 4.4
  • Topological Polar Surface Area: 20.3?2
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