Cas no 1198007-00-9 (6-(2-propyn-1-yloxy)-3-Pyridinamine)

6-(2-propyn-1-yloxy)-3-Pyridinamine structure
1198007-00-9 structure
Product Name:6-(2-propyn-1-yloxy)-3-Pyridinamine
CAS No:1198007-00-9
MF:C8H8N2O
MW:148.16192150116
CID:1101442
PubChem ID:83814529
Update Time:2025-04-20

6-(2-propyn-1-yloxy)-3-Pyridinamine Chemical and Physical Properties

Names and Identifiers

    • 6-(2-propyn-1-yloxy)-3-Pyridinamine
    • 6-(Prop-2-yn-1-yloxy)pyridin-3-amine
    • AKOS023555709
    • 1198007-00-9
    • SCHEMBL158923
    • Inchi: 1S/C8H8N2O/c1-2-5-11-8-4-3-7(9)6-10-8/h1,3-4,6H,5,9H2
    • InChI Key: TXEXKDNRKNIUOF-UHFFFAOYSA-N
    • SMILES: O(CC#C)C1C=CC(=CN=1)N

Computed Properties

  • Exact Mass: 148.063662883g/mol
  • Monoisotopic Mass: 148.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 0.6
  • Topological Polar Surface Area: 48.1?2
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