Cas no 1093436-85-1 (3-(aminomethyl)-1H-pyrazole-5-carboxylic acid)

3-(aminomethyl)-1H-pyrazole-5-carboxylic acid structure
1093436-85-1 structure
Product Name:3-(aminomethyl)-1H-pyrazole-5-carboxylic acid
CAS No:1093436-85-1
MF:C5H7N3O2
MW:141.127980470657
CID:5882709
PubChem ID:23006218
Update Time:2024-01-16

3-(aminomethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 5-(aminomethyl)-
    • 3-(aminomethyl)-1H-pyrazole-5-carboxylic acid
    • SCHEMBL9700649
    • EN300-2010566
    • 1093436-85-1
    • Inchi: 1S/C5H7N3O2/c6-2-3-1-4(5(9)10)8-7-3/h1H,2,6H2,(H,7,8)(H,9,10)
    • InChI Key: MGBKZBDIAHTJSC-UHFFFAOYSA-N
    • SMILES: N1C(CN)=CC(C(O)=O)=N1

Computed Properties

  • Exact Mass: 141.053826475g/mol
  • Monoisotopic Mass: 141.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 139
  • 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: -3.3
  • Topological Polar Surface Area: 92?2

Experimental Properties

  • Density: 1.509±0.06 g/cm3(Predicted)
  • Boiling Point: 477.6±35.0 °C(Predicted)
  • pka: 3.48±0.10(Predicted)

3-(aminomethyl)-1H-pyrazole-5-carboxylic acid Pricemore >>

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