Cas no 687635-04-7 (3-Pyrazol-1-yl-benzylamine)

3-Pyrazol-1-yl-benzylamine structure
3-Pyrazol-1-yl-benzylamine structure
Product Name:3-Pyrazol-1-yl-benzylamine
CAS No:687635-04-7
MF:C10H11N3
MW:173.214441537857
MDL:MFCD03449005
CID:843926
PubChem ID:730097
Update Time:2025-04-19

3-Pyrazol-1-yl-benzylamine Chemical and Physical Properties

Names and Identifiers

    • (3-(1H-Pyrazol-1-yl)phenyl)methanamine
    • 3-(1H-Pyrazol-1-yl)benzylamine
    • 3-PYRAZOL-1-YL-BENZYLAMINE
    • (3-pyrazol-1-ylphenyl)methanamine
    • 1-[3-(1H-pyrazol-1-yl)phenyl]methanamine(SALTDATA: 0.5H2SO4)
    • [3-(1H-Pyrazol-1-yl)phenyl]methylamine
    • [3-(1H-pyrazol-1-yl)phenyl]methanamine
    • 1-[3-(1H-pyrazol-1-yl)phenyl]methanamine
    • Benzenemethanamine, 3-(1H-pyrazol-1-yl)-
    • PubChem22755
    • Oprea1_667250
    • Oprea1_340765
    • FRAGMENT CC32913
    • (3-pyrazolylphenyl)methylamine
    • AC-22875
    • 3-pyrazol-1-yl-benzylamine, AldrichCPR
    • FT-0685471
    • EU-0014585
    • CHEMBL1622853
    • DTXSID90352601
    • J-501067
    • AKOS001666303
    • MFCD03449005
    • EN300-80163
    • YWZKZHCZKIKAAC-UHFFFAOYSA-N
    • PS-5471
    • [3-(1H-pyrazol-1-yl)benzyl]amine
    • SY128085
    • BDBM50579233
    • SCHEMBL1793682
    • 3-(1-Pyrazolyl)benzylamine
    • (3-(1h-pyrazol-1-yl)phenyl)methylamine
    • 687635-04-7
    • BB 0220089
    • A836241
    • Q27456933
    • STL059519
    • 1-[3-(PYRAZOL-1-YL)PHENYL]METHANAMINE
    • ALBB-021669
    • 3-Pyrazol-1-yl-benzylamine
    • MDL: MFCD03449005
    • Inchi: 1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
    • InChI Key: YWZKZHCZKIKAAC-UHFFFAOYSA-N
    • SMILES: N1(C=CC=N1)C1=CC=CC(CN)=C1

Computed Properties

  • Exact Mass: 173.09500
  • Monoisotopic Mass: 173.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 320.8±25.0 °C at 760 mmHg
  • Flash Point: 147.8±23.2 °C
  • PSA: 43.84000
  • LogP: 2.03130
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-Pyrazol-1-yl-benzylamine Security Information

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