Cas no 2806720-37-4 (prop-2-yn-1,1-d2-1-amine)

prop-2-yn-1,1-d2-1-amine structure
prop-2-yn-1,1-d2-1-amine structure
Product Name:prop-2-yn-1,1-d2-1-amine
CAS No:2806720-37-4
MF:C3H5N
MW:57.0908238887787
CID:6827069
PubChem ID:142735075
Update Time:2025-02-19

prop-2-yn-1,1-d2-1-amine Chemical and Physical Properties

Names and Identifiers

    • 2806720-37-4
    • prop-2-yn-1,1-d2-1-amine
    • CS-25329
    • Inchi: 1S/C3H5N/c1-2-3-4/h1H,3-4H2/i3D2
    • InChI Key: JKANAVGODYYCQF-SMZGMGDZSA-N
    • SMILES: NC([2H])([2H])C#C

Computed Properties

  • Exact Mass: 57.054752656Da
  • Monoisotopic Mass: 57.054752656Da
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 4
  • Rotatable Bond Count: 0
  • Complexity: 38.5
  • 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: -0.4
  • Topological Polar Surface Area: 26?2
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