Cas no 7545-61-1 (8-Quinolinol, 5-[(hexyloxy)methyl]-)

8-Quinolinol, 5-[(hexyloxy)methyl]- structure
7545-61-1 structure
Product Name:8-Quinolinol, 5-[(hexyloxy)methyl]-
CAS No:7545-61-1
MF:C16H21NO2
MW:259.3434445858
CID:539504
PubChem ID:15817748
Update Time:2025-04-19

8-Quinolinol, 5-[(hexyloxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 8-Quinolinol, 5-[(hexyloxy)methyl]-
    • 5-(hexoxymethyl)quinolin-8-ol
    • DTXSID10578563
    • 5-((Hexyloxy)methyl)quinolin-8-ol
    • 5-hexyloxymethyl-8-quinolinol
    • 5-[(HEXYLOXY)METHYL]QUINOLIN-8-OL
    • 7545-61-1
    • Inchi: 1S/C16H21NO2/c1-2-3-4-5-11-19-12-13-8-9-15(18)16-14(13)7-6-10-17-16/h6-10,18H,2-5,11-12H2,1H3
    • InChI Key: LSFKOYSQISFCFI-UHFFFAOYSA-N
    • SMILES: O(CC1=CC=C(C2C1=CC=CN=2)O)CCCCCC

Computed Properties

  • Exact Mass: 259.15733
  • Monoisotopic Mass: 259.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 7
  • Complexity: 247
  • 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
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 42.35
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