Cas no 141665-16-9 (3-tert-butyl-1-methyl-1H-pyrazole)

3-tert-butyl-1-methyl-1H-pyrazole structure
141665-16-9 structure
Product Name:3-tert-butyl-1-methyl-1H-pyrazole
CAS No:141665-16-9
MF:C8H14N2
MW:138.210161685944
MDL:MFCD21666992
CID:141709
PubChem ID:145633
Update Time:2025-04-19

3-tert-butyl-1-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole,3-(1,1-dimethylethyl)-1-methyl-
    • 3-tert-butyl-1-methylpyrazole
    • 1-Methyl-3-t-butylpyrazole
    • 3-tert-butyl-1-methyl-1H-pyrazole
    • DTXSID60161787
    • CS-0217958
    • SCHEMBL440932
    • 141665-16-9
    • AKOS015362389
    • EN300-95032
    • 3-(tert-butyl)-1-methyl-1h-pyrazole
    • MDL: MFCD21666992
    • Inchi: 1S/C8H14N2/c1-8(2,3)7-5-6-10(4)9-7/h5-6H,1-4H3
    • InChI Key: LWFMELWSMBFNST-UHFFFAOYSA-N
    • SMILES: N1=C(C=CN1C)C(C)(C)C

Computed Properties

  • Exact Mass: 138.11582
  • Monoisotopic Mass: 138.115698
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 115
  • 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: 17.8
  • XLogP3: 1.9

Experimental Properties

  • Density: 0.92
  • Boiling Point: 194°Cat760mmHg
  • Flash Point: 71.1°C
  • Refractive Index: 1.493
  • PSA: 17.82

3-tert-butyl-1-methyl-1H-pyrazole Pricemore >>

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