Cas no 105115-85-3 (Propanenitrile,3-[[2-(1H-indol-3-yl)ethyl]amino]-)

Propanenitrile,3-[[2-(1H-indol-3-yl)ethyl]amino]- structure
105115-85-3 structure
Product Name:Propanenitrile,3-[[2-(1H-indol-3-yl)ethyl]amino]-
CAS No:105115-85-3
MF:C13H15N3
MW:213.278302431107
CID:231245
PubChem ID:128794
Update Time:2025-04-19

Propanenitrile,3-[[2-(1H-indol-3-yl)ethyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile,3-[[2-(1H-indol-3-yl)ethyl]amino]-
    • N-cyanoethyltryptamine
    • 3-{[2-(1H-indol-2-yl)ethyl]amino}propanenitrile
    • 105115-85-3
    • 3-[2-(1H-indol-2-yl)ethylamino]propanenitrile
    • DTXSID70909339
    • Inchi: 1S/C13H15N3/c14-7-3-8-15-9-6-12-10-11-4-1-2-5-13(11)16-12/h1-2,4-5,10,15-16H,3,6,8-9H2
    • InChI Key: KARGJNGONYCCMO-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2C=C1CCNCCC#N

Computed Properties

  • Exact Mass: 212.11892
  • Monoisotopic Mass: 213.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 255
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 51.6?2

Experimental Properties

  • PSA: 48.71
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