Cas no 1209818-13-2 (1-(3-Ethylisoxazol-5-yl)ethanamine)

1-(3-Ethylisoxazol-5-yl)ethanamine structure
1209818-13-2 structure
Product Name:1-(3-Ethylisoxazol-5-yl)ethanamine
CAS No:1209818-13-2
MF:C7H12N2O
MW:140.182981491089
CID:1088004
PubChem ID:45791240
Update Time:2025-04-20

1-(3-Ethylisoxazol-5-yl)ethanamine Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Ethylisoxazol-5-yl)ethanamine
    • 1-(3-ethyl-1,2-oxazol-5-yl)ethanamine
    • 1-(3-ethyl-5-isoxazolyl)ethanamine(SALTDATA: HCl)
    • 1209818-13-2
    • 1-(3-ethyl-5-isoxazolyl)ethanamine
    • AKOS006332663
    • MDL: MFCD12827509
    • Inchi: 1S/C7H12N2O/c1-3-6-4-7(5(2)8)10-9-6/h4-5H,3,8H2,1-2H3
    • InChI Key: WCHKKMWBLWJUMZ-UHFFFAOYSA-N
    • SMILES: O1C(=CC(CC)=N1)C(C)N

Computed Properties

  • Exact Mass: 140.094963011g/mol
  • Monoisotopic Mass: 140.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 108
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 52?2
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