Cas no 1000802-72-1 (3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine)

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine structure
1000802-72-1 structure
Product Name:3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CAS No:1000802-72-1
MF:C8H14BrN3
MW:232.12086057663
MDL:MFCD03422556
CID:3056963
PubChem ID:7019310
Update Time:2025-04-21

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
    • AKOS B014428
    • AKOS PAO-1070
    • ART-CHEM-BB B014428
    • 3-(4-BROMO-3,5-DIMETHYL-PYRAZOL-1-YL)-PROPYLAMINE
    • 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
    • STK313328
    • 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propan-1-amine
    • 3-(4-Bromo-3,5-dimethylpyrazol-1-yl)propylamine
    • EN300-228695
    • C8H14BrN3
    • 1000802-72-1
    • SCHEMBL1855322
    • DB-117859
    • CHEMBL4567431
    • CS-0282781
    • AKOS000305142
    • MDL： MFCD03422556
    • Inchi： 1S/C8H14BrN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3
    • InChI Key： NJGOTAWBGADHOH-UHFFFAOYSA-N
    • SMILES： BrC1C(C)=NN(C=1C)CCCN

Computed Properties

  • Exact Mass: 231.03711Da
  • Monoisotopic Mass: 231.03711Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • 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: 1.1
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 309.9±42.0 °C at 760 mmHg
  • Flash Point: 141.2±27.9 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine Security Information

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