Cas no 61772-93-8 (2H-Pyrrole, 2-ethyl-5-heptyl-3,4-dihydro-)

2H-Pyrrole, 2-ethyl-5-heptyl-3,4-dihydro- structure
61772-93-8 structure
Product Name:2H-Pyrrole, 2-ethyl-5-heptyl-3,4-dihydro-
CAS No:61772-93-8
MF:C13H25N
MW:195.344303846359
CID:466671
PubChem ID:14565929
Update Time:2025-04-19

2H-Pyrrole, 2-ethyl-5-heptyl-3,4-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyrrole, 2-ethyl-5-heptyl-3,4-dihydro-
    • 2-ethyl-5-heptyl-3,4-dihydro-2H-pyrrole
    • 61772-93-8
    • DTXSID80561700
    • Inchi: 1S/C13H25N/c1-3-5-6-7-8-9-13-11-10-12(4-2)14-13/h12H,3-11H2,1-2H3
    • InChI Key: RYIVYPMKIOAJQP-UHFFFAOYSA-N
    • SMILES: N1=C(CCCCCCC)CCC1CC

Computed Properties

  • Exact Mass: 195.19885
  • Monoisotopic Mass: 195.198699802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 12.4?2

Experimental Properties

  • PSA: 12.36
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