Cas no 39350-56-6 (Diazene, [4-(heptyloxy)phenyl]phenyl-, monooxide)

Diazene, [4-(heptyloxy)phenyl]phenyl-, monooxide structure
39350-56-6 structure
Product Name:Diazene, [4-(heptyloxy)phenyl]phenyl-, monooxide
CAS No:39350-56-6
MF:C19H24N2O2
MW:312.406064987183
CID:1505744
PubChem ID:71350813
Update Time:2025-04-21

Diazene, [4-(heptyloxy)phenyl]phenyl-, monooxide Chemical and Physical Properties

Names and Identifiers

    • Diazene, [4-(heptyloxy)phenyl]phenyl-, monooxide
    • (4-heptoxyphenyl)imino-oxido-phenylazanium
    • DTXSID40776595
    • 39350-56-6
    • 1-(Heptyloxy)-4-[(Z)-phenyl-ONN-azoxy]benzene
    • Inchi: 1S/C19H24N2O2/c1-2-3-4-5-9-16-23-19-14-12-17(13-15-19)20-21(22)18-10-7-6-8-11-18/h6-8,10-15H,2-5,9,16H2,1H3/b21-20-
    • InChI Key: PHCJHMNUJVEVAJ-MRCUWXFGSA-N
    • SMILES: O(C1C=CC(=CC=1)/N=[N+](/C1C=CC=CC=1)\[O-])CCCCCCC

Computed Properties

  • Exact Mass: 312.18392
  • Monoisotopic Mass: 312.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 332
  • 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: 6
  • Topological Polar Surface Area: 50.3?2

Experimental Properties

  • PSA: 47.66
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