Cas no 139617-17-7 (Benzenemethanol, 2-amino-3,5-dimethoxy-)

Benzenemethanol, 2-amino-3,5-dimethoxy- structure
139617-17-7 structure
Product Name:Benzenemethanol, 2-amino-3,5-dimethoxy-
CAS No:139617-17-7
MF:C9H13NO3
MW:183.204422712326
CID:1277309
PubChem ID:85632483
Update Time:2025-04-20

Benzenemethanol, 2-amino-3,5-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2-amino-3,5-dimethoxy-
    • 139617-17-7
    • (2-amino-3,5-dimethoxyphenyl)methanol
    • Inchi: 1S/C9H13NO3/c1-12-7-3-6(5-11)9(10)8(4-7)13-2/h3-4,11H,5,10H2,1-2H3
    • InChI Key: QWNSGUFZBSPCLV-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(=CC(CO)=C1N)OC

Computed Properties

  • Exact Mass: 183.08959
  • Monoisotopic Mass: 183.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 154
  • 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: 0.8
  • Topological Polar Surface Area: 64.7?2

Experimental Properties

  • PSA: 64.71
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