Cas no 66052-06-0 (4-N-Hexyloxybenzonitrile)

4-N-Hexyloxybenzonitrile structure
4-N-Hexyloxybenzonitrile structure
Product Name:4-N-Hexyloxybenzonitrile
CAS No:66052-06-0
MF:C13H17NO
MW:203.280183553696
MDL:MFCD00143325
CID:502857
PubChem ID:3857529
Update Time:2025-04-19

4-N-Hexyloxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-(hexyloxy)-
    • 4-hexoxybenzonitrile
    • p-(Hexyloxy)benzonitrile
    • 1-(4-cyanophenyl)oxyhexane
    • 4-hexyloxybenzenecarbonitrile
    • 4-Hexyloxy-benzoesaeure-nitril
    • 4-Hexyloxy-benzonitril
    • 4-HEXYLOXYBENZONITRILE
    • 4-n-Hexyloxybenzonitrile
    • p-hexyloxybenzonitrile
    • 66052-06-0
    • CS-0366441
    • MFCD00143325
    • 4-(HEXYLOXY)BENZONITRILE
    • SCHEMBL7219850
    • 4-hexyloxy-benzonitrile
    • AKOS002685637
    • DTXSID20397429
    • 4-N-Hexyloxybenzonitrile
    • MDL: MFCD00143325
    • Inchi: 1S/C13H17NO/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9H,2-5,10H2,1H3
    • InChI Key: ZEGNLQDUZSZDPB-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C#N)=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 203.13100
  • Monoisotopic Mass: 203.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 198
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Color/Form: Color or light yellow liquid
  • PSA: 33.02000
  • LogP: 3.51738
  • Solubility: It is almost insoluble in water and soluble in acetone.

4-N-Hexyloxybenzonitrile Pricemore >>

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