Cas no 79639-04-6 (1H-Pyrrole, 2-nonyl-)

1H-Pyrrole, 2-nonyl- structure
1H-Pyrrole, 2-nonyl- structure
Product Name:1H-Pyrrole, 2-nonyl-
CAS No:79639-04-6
MF:C13H23N
MW:193.32842373848
CID:532557
PubChem ID:57221515
Update Time:2025-04-19

1H-Pyrrole, 2-nonyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole, 2-nonyl-
    • 2-nonyl-1H-pyrrole
    • 79639-04-6
    • DTXSID50720589
    • 2-nonylpyrrole
    • Inchi: 1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11-12,14H,2-8,10H2,1H3
    • InChI Key: GPRHFTZHIFMTGJ-UHFFFAOYSA-N
    • SMILES: N1C=CC=C1CCCCCCCCC

Computed Properties

  • Exact Mass: 193.18319
  • Monoisotopic Mass: 193.183049738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 122
  • 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: 6.6
  • Topological Polar Surface Area: 15.8?2

Experimental Properties

  • PSA: 15.79
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