Cas no 159148-84-2 (2-(1H-1,2,4-triazol-1-ylmethyl)phenylmethanamine)

2-(1H-1,2,4-triazol-1-ylmethyl)phenylmethanamine structure
159148-84-2 structure
Product Name:2-(1H-1,2,4-triazol-1-ylmethyl)phenylmethanamine
CAS No:159148-84-2
MF:C10H12N4
MW:188.22908115387
CID:1337730
PubChem ID:16777110
Update Time:2025-04-20

2-(1H-1,2,4-triazol-1-ylmethyl)phenylmethanamine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, 2-(1H-1,2,4-triazol-1-ylmethyl)-
    • {2-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}methanamine
    • AKOS000133425
    • [2-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
    • Z239137474
    • DB-126235
    • CS-0286109
    • [2-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methanamine
    • 1-[2-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methanamine
    • EN300-35883
    • SCHEMBL16446324
    • PUQTWRVJAQDULB-UHFFFAOYSA-N
    • 159148-84-2
    • (2-((1H-1,2,4-triazol-1-yl)methyl)phenyl)methanamine
    • 1-{2-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}methanamine
    • 2-(1H-1,2,4-triazol-1-ylmethyl)phenylmethanamine
    • Inchi: 1S/C10H12N4/c11-5-9-3-1-2-4-10(9)6-14-8-12-7-13-14/h1-4,7-8H,5-6,11H2
    • InChI Key: PUQTWRVJAQDULB-UHFFFAOYSA-N
    • SMILES: N1(C=NC=N1)CC1C=CC=CC=1CN

Computed Properties

  • Exact Mass: 188.10636
  • Monoisotopic Mass: 188.106196400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 174
  • 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: -0.2
  • Topological Polar Surface Area: 56.7?2

Experimental Properties

  • PSA: 56.73

2-(1H-1,2,4-triazol-1-ylmethyl)phenylmethanamine Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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Enamine
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