Cas no 101651-44-9 (Acetamide,N-5H-pyrido[4,3-b]indol-3-yl-)

Acetamide,N-5H-pyrido[4,3-b]indol-3-yl- structure
101651-44-9 structure
Product Name:Acetamide,N-5H-pyrido[4,3-b]indol-3-yl-
CAS No:101651-44-9
MF:C13H11N3O
MW:225.245942354202
CID:182439
PubChem ID:3063817
Update Time:2025-04-19

Acetamide,N-5H-pyrido[4,3-b]indol-3-yl- Chemical and Physical Properties

Names and Identifiers

    • Acetamide,N-5H-pyrido[4,3-b]indol-3-yl-
    • 5H-Pyrido[4,3-b]indole,acetamide deriv.
    • N-(5H-pyrido[4,3-b]indol-3-yl)acetamide
    • SCHEMBL3341658
    • DTXSID60144090
    • 101651-44-9
    • N-(5H-Pyrido(4,3-b)indol-3-yl)acetamide
    • Acetamide, N-(5H-pyrido(4,3-b)indol-3-yl)-
    • Inchi: 1S/C13H11N3O/c1-8(17)15-13-6-12-10(7-14-13)9-4-2-3-5-11(9)16-12/h2-7,16H,1H3,(H,14,15,17)
    • InChI Key: WIMXPBFDDOFUQK-UHFFFAOYSA-N
    • SMILES: O=C(C)NC1=CC2=C(C=N1)C1C=CC=CC=1N2

Computed Properties

  • Exact Mass: 224.0825
  • Monoisotopic Mass: 225.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 307
  • 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: 1.8
  • Topological Polar Surface Area: 57.8?2

Experimental Properties

  • Density: 1.387
  • Boiling Point: 573.3°Cat760mmHg
  • Flash Point: 300.5°C
  • Refractive Index: 1.789
  • PSA: 57.78
  • LogP: 3.32400

Acetamide,N-5H-pyrido[4,3-b]indol-3-yl- Security Information

  • Safety Term:x."> Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
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