Cas no 1240565-03-0 (1-(Cyclobutylmethyl)-1h-pyrazol-3-amine)

1-(Cyclobutylmethyl)-1h-pyrazol-3-amine structure
1240565-03-0 structure
Product Name:1-(Cyclobutylmethyl)-1h-pyrazol-3-amine
CAS No:1240565-03-0
MF:C8H13N3
MW:151.208921194077
CID:5703661
PubChem ID:50999922
Update Time:2023-10-17

1-(Cyclobutylmethyl)-1h-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 1-(cyclobutylmethyl)pyrazol-3-amine
    • 1-(Cyclobutylmethyl)-1H-pyrazol-3-amine
    • CS-0284937
    • EN300-783478
    • 1240565-03-0
    • AKOS014313868
    • 1-Cyclobutylmethyl-1H-pyrazol-3-ylamine
    • 1H-Pyrazol-3-amine, 1-(cyclobutylmethyl)-
    • 1-(Cyclobutylmethyl)-1h-pyrazol-3-amine
    • Inchi: 1S/C8H13N3/c9-8-4-5-11(10-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H2,9,10)
    • InChI Key: PIOVMDZKKTVCKE-UHFFFAOYSA-N
    • SMILES: N1(C=CC(N)=N1)CC1CCC1

Computed Properties

  • Exact Mass: 151.110947427g/mol
  • Monoisotopic Mass: 151.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 133
  • 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: 1.1
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.29±0.1 g/cm3(Predicted)
  • Boiling Point: 303.9±15.0 °C(Predicted)
  • pka: 4.02±0.10(Predicted)

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