Cas no 7405-08-5 (N-hexylheptan-1-amine)

N-hexylheptan-1-amine structure
N-hexylheptan-1-amine structure
Product Name:N-hexylheptan-1-amine
CAS No:7405-08-5
MF:C13H29N
MW:199.376064062119
CID:979007
PubChem ID:436773
Update Time:2025-04-19

N-hexylheptan-1-amine Chemical and Physical Properties

Names and Identifiers

    • N-hexylheptan-1-amine
    • 7405-08-5
    • SCHEMBL44916
    • DTXSID90331259
    • AKOS005294875
    • Inchi： 1S/C13H29N/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h14H,3-13H2,1-2H3
    • InChI Key： KLJUVCXLKBGKOY-UHFFFAOYSA-N
    • SMILES： N(CCCCCC)CCCCCCC

Computed Properties

  • Exact Mass: 199.23017
  • Monoisotopic Mass: 199.23
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 11
  • Complexity: 91.2
  • 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

  • Density: 0.791
  • Boiling Point: 260.6°C at 760 mmHg
  • Flash Point: 99.2°C
  • Refractive Index: 1.435
  • PSA: 12.03

N-hexylheptan-1-amine Related Literature

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