Cas no 120771-20-2 (5-tert-Butyl-4-methylisoxazol-3-amine)

5-tert-Butyl-4-methylisoxazol-3-amine structure
120771-20-2 structure
Product Name:5-tert-Butyl-4-methylisoxazol-3-amine
CAS No:120771-20-2
MF:C8H14N2O
MW:154.209561824799
MDL:MFCD18818508
CID:104905
PubChem ID:14457863
Update Time:2025-04-18

5-tert-Butyl-4-methylisoxazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolamine,5-(1,1-dimethylethyl)-4-methyl-
    • 3-Isoxazolamine,5-(1,1-dimethylethyl)-4-methyl-(9CI)
    • 5-tert-butyl-4-methylisoxazol-3-amine
    • 5-(tert-Butyl)-4-methylisoxazol-3-amine
    • 120771-20-2
    • RLIMGYSPDXCPNA-UHFFFAOYSA-N
    • 5-tert-butyl-4-methyl-isoxazole-3-amine
    • 5-tert-butyl-4-methyl-1,2-oxazol-3-amine
    • SCHEMBL10514792
    • EN300-345009
    • AKOS013566941
    • CS-0098193
    • A892068
    • MFCD18818508
    • 5-tert-Butyl-4-methylisoxazol-3-amine
    • MDL： MFCD18818508
    • Inchi： 1S/C8H14N2O/c1-5-6(8(2,3)4)11-10-7(5)9/h1-4H3,(H2,9,10)
    • InChI Key： RLIMGYSPDXCPNA-UHFFFAOYSA-N
    • SMILES： O1C(=C(C)C(N)=N1)C(C)(C)C

Computed Properties

  • Exact Mass: 154.110613074g/mol
  • Monoisotopic Mass: 154.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 2.1
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 259.4±28.0 °C at 760 mmHg
  • Flash Point: 110.7±24.0 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

5-tert-Butyl-4-methylisoxazol-3-amine Security Information

5-tert-Butyl-4-methylisoxazol-3-amine Pricemore >>

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Enamine
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