Cas no 52986-71-7 (6-methoxy-1-methyl-Isoquinoline)

6-methoxy-1-methyl-Isoquinoline structure
52986-71-7 structure
Product Name:6-methoxy-1-methyl-Isoquinoline
CAS No:52986-71-7
MF:C11H11NO
MW:173.211142778397
CID:358312
PubChem ID:15933745
Update Time:2025-04-19

6-methoxy-1-methyl-Isoquinoline Chemical and Physical Properties

Names and Identifiers

    • 6-methoxy-1-methyl-Isoquinoline
    • 6-methoxy-1-methylisoquinoline
    • Isoquinoline, 6-methoxy-1-methyl-
    • SCHEMBL3266115
    • AKOS015912088
    • 1-methyl-6-Isoquinolinol
    • DTXSID30579810
    • 52986-71-7
    • Inchi: 1S/C11H11NO/c1-8-11-4-3-10(13-2)7-9(11)5-6-12-8/h3-7H,1-2H3
    • InChI Key: OWDSYQHGTWALKU-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2C(C)=NC=CC=2C=1

Computed Properties

  • Exact Mass: 173.08413
  • Monoisotopic Mass: 173.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • 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: 2.5
  • Topological Polar Surface Area: 22.1?2

Experimental Properties

  • PSA: 22.12

6-methoxy-1-methyl-Isoquinoline Pricemore >>

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