Cas no 69491-66-3 (3,7-dimethyl-1,2-benzoxazol-5-amine)

3,7-dimethyl-1,2-benzoxazol-5-amine structure
69491-66-3 structure
Product Name:3,7-dimethyl-1,2-benzoxazol-5-amine
CAS No:69491-66-3
MF:C9H10N2O
MW:162.188501834869
CID:500594
Update Time:2025-10-05

3,7-dimethyl-1,2-benzoxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazol-5-amine,3,7-dimethyl-
    • 1,2-Benzisoxazol-5-amine,3,7-dimethyl-(9CI)
    • 3,7-Dimethylbenzo[d]isoxazol-5-amine
    • CLRDHVCFJNUPLR-UHFFFAOYSA-N
    • 3,7-Dimethyl-1,2-benzoxazol-5-amine
    • CID 117110157
    • 1,2-Benzisoxazol-5-amine, 3,7-dimethyl-
    • 3,7-dimethyl-1,2-benzoxazol-5-amine
    • MDL: MFCD18804921
    • Inchi: 1S/C9H10N2O/c1-5-3-7(10)4-8-6(2)11-12-9(5)8/h3-4H,10H2,1-2H3
    • InChI Key: CLRDHVCFJNUPLR-UHFFFAOYSA-N
    • SMILES: O1C2C(C)=CC(=CC=2C(C)=N1)N

Computed Properties

  • Exact Mass: 162.079
  • Monoisotopic Mass: 162.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 174
  • 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: 52

Experimental Properties

  • Density: 1.206±0.06 g/cm3(Predicted)
  • Boiling Point: 334.3±37.0 °C(Predicted)
  • pka: 3.09±0.10(Predicted)

3,7-dimethyl-1,2-benzoxazol-5-amine Pricemore >>

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