Cas no 22049-22-5 (8-Quinolinol, 5-(butoxymethyl)-)

8-Quinolinol, 5-(butoxymethyl)- structure
22049-22-5 structure
Product Name:8-Quinolinol, 5-(butoxymethyl)-
CAS No:22049-22-5
MF:C14H17NO2
MW:231.290283918381
CID:1405799
PubChem ID:11857268
Update Time:2025-04-20

8-Quinolinol, 5-(butoxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 8-Quinolinol, 5-(butoxymethyl)-
    • 5-(butoxymethyl)quinolin-8-ol
    • AKOS004119283
    • DTXSID60474445
    • SCHEMBL1143693
    • 22049-22-5
    • Inchi: 1S/C14H17NO2/c1-2-3-9-17-10-11-6-7-13(16)14-12(11)5-4-8-15-14/h4-8,16H,2-3,9-10H2,1H3
    • InChI Key: DAMLYOOUAWIJTB-UHFFFAOYSA-N
    • SMILES: O(CCCC)CC1=CC=C(C2C1=CC=CN=2)O

Computed Properties

  • Exact Mass: 231.12601
  • Monoisotopic Mass: 231.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 222
  • 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: 2.9
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 42.35
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