Cas no 23350-02-9 (4-Isoxazolamine,3-phenyl-)

4-Isoxazolamine,3-phenyl- structure
4-Isoxazolamine,3-phenyl- structure
Product Name:4-Isoxazolamine,3-phenyl-
CAS No:23350-02-9
MF:C9H8N2O
MW:160.17262172699
CID:251969
PubChem ID:45099207
Update Time:2025-04-19

4-Isoxazolamine,3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolamine,3-phenyl-
    • Isoxazole,4-amino-3-phenyl- (8CI)
    • 3-phenyl-isoxazol-4-ylamine
    • 3-Phenylisoxazol-4-amine
    • 3-phenyl-1,2-oxazol-4-amine
    • amino-3-phenylisoxazole
    • EN300-4286056
    • W-200371
    • 23350-02-9
    • Inchi: 1S/C9H8N2O/c10-8-6-12-11-9(8)7-4-2-1-3-5-7/h1-6H,10H2
    • InChI Key: QWRFSFAKIHDEGF-UHFFFAOYSA-N
    • SMILES: O1C=C(C(C2C=CC=CC=2)=N1)N

Computed Properties

  • Exact Mass: 160.06374
  • Monoisotopic Mass: 160.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 146
  • 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
  • Topological Polar Surface Area: 52A^2
  • XLogP3: 1.3

Experimental Properties

  • PSA: 52.05

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