Cas no 100010-02-4 (3-[ethyl(hexyl)amino]phenol)

3-[ethyl(hexyl)amino]phenol structure
3-[ethyl(hexyl)amino]phenol structure
Product Name:3-[ethyl(hexyl)amino]phenol
CAS No:100010-02-4
MF:C14H23NO
MW:221.338524103165
CID:1124395
PubChem ID:53438885
Update Time:2025-04-20

3-[ethyl(hexyl)amino]phenol Chemical and Physical Properties

Names and Identifiers

    • 3-[ethyl(hexyl)amino]phenol
    • m-[Ethyl(hexyl)amino]phenol
    • DTXSID20701562
    • 100010-02-4
    • Inchi: 1S/C14H23NO/c1-3-5-6-7-11-15(4-2)13-9-8-10-14(16)12-13/h8-10,12,16H,3-7,11H2,1-2H3
    • InChI Key: KRWUORDTHJBMQO-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(=C1)N(CC)CCCCCC

Computed Properties

  • Exact Mass: 221.17809
  • Monoisotopic Mass: 221.177964357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • 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: 23.5?2

Experimental Properties

  • PSA: 23.47
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