Cas no 100468-22-2 (4-imidazol-1-ylbut-2-en-1-amine)

4-imidazol-1-ylbut-2-en-1-amine structure
100468-22-2 structure
Product Name:4-imidazol-1-ylbut-2-en-1-amine
CAS No:100468-22-2
MF:C7H11N3
MW:137.182340860367
CID:1125664
PubChem ID:13371078
Update Time:2025-04-20

4-imidazol-1-ylbut-2-en-1-amine Chemical and Physical Properties

Names and Identifiers

    • 4-imidazol-1-ylbut-2-en-1-amine
    • (Z)-4-(1H-imidazol-1-yl)-2-butenamine
    • SureCN7287875
    • 2-Buten-1-amine, 4-(1H-imidazol-1-yl)-, (Z)-
    • CTK0E0168
    • ACMC-20lxxy
    • CTK3F5718
    • 2-Buten-1-amine, 4-(1H-imidazol-1-yl)-
    • AGN-PC-00ME32
    • ACMC-20m3im
    • cis-4-(1H-imidazol-1-yl)-2-butenamine
    • (Z)-4-(1H-imidazol-1-yl)-2-butenamine; SureCN7287875; 2-Buten-1-amine, 4-(1H-imidazol-1-yl)-, (Z)-; CTK0E0168; ACMC-20lxxy; CTK3F5718; 2-Buten-1-amine, 4-(1H-imidazol-1-yl)-; AGN-PC-00ME32; 93668-02-1; ACMC-20m3im; cis-4-(1H-imidazol-1-yl)-2-butenamine;
    • SCHEMBL7287867
    • (2Z)-4-(1H-Imidazol-1-yl)-2-buten-1-amine
    • 100468-22-2
    • DTXSID701272530
    • Inchi: 1S/C7H11N3/c8-3-1-2-5-10-6-4-9-7-10/h1-2,4,6-7H,3,5,8H2/b2-1-
    • InChI Key: CSIGJYXNUMZBBX-UPHRSURJSA-N
    • SMILES: N1(C=NC=C1)C/C=C\CN

Computed Properties

  • Exact Mass: 137.095297g/mol
  • Monoisotopic Mass: 137.095297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 111
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Molecular Weight: 137.18g/mol
  • XLogP3: -0.5
  • Topological Polar Surface Area: 43.8?2
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