Cas no 1602502-77-1 (3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-ol)

3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-ol structure
1602502-77-1 structure
Product Name:3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-ol
CAS No:1602502-77-1
MF:C9H17N3O
MW:183.250781774521
CID:5715083
PubChem ID:116492753
Update Time:2023-10-17

3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-ol Chemical and Physical Properties

Names and Identifiers

    • EN300-1109176
    • 3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-ol
    • 1602502-77-1
    • 1H-Pyrazole-1-propanol, 4-amino-β,3,5-trimethyl-
    • Inchi: 1S/C9H17N3O/c1-6(5-13)4-12-8(3)9(10)7(2)11-12/h6,13H,4-5,10H2,1-3H3
    • InChI Key: YMJUCMHWQLSPTH-UHFFFAOYSA-N
    • SMILES: OCC(C)CN1C(C)=C(C(C)=N1)N

Computed Properties

  • Exact Mass: 183.137162174g/mol
  • Monoisotopic Mass: 183.137162174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 64.1?2

Experimental Properties

  • Density: 1.17±0.1 g/cm3(Predicted)
  • Boiling Point: 350.8±42.0 °C(Predicted)
  • pka: 14.82±0.10(Predicted)

3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-ol Pricemore >>

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