Cas no 650607-91-3 (Pyrrolidine, 1-butyl-2,5-diphenyl-, (2S,5S)-)

Pyrrolidine, 1-butyl-2,5-diphenyl-, (2S,5S)- structure
650607-91-3 structure
Product Name:Pyrrolidine, 1-butyl-2,5-diphenyl-, (2S,5S)-
CAS No:650607-91-3
MF:C20H25N
MW:279.41920542717
CID:408713
PubChem ID:12077470
Update Time:2025-04-19

Pyrrolidine, 1-butyl-2,5-diphenyl-, (2S,5S)- Chemical and Physical Properties

Names and Identifiers

    • Pyrrolidine, 1-butyl-2,5-diphenyl-, (2S,5S)-
    • (2S,5S)-1-butyl-2,5-diphenylpyrrolidine
    • DTXSID10477123
    • 650607-91-3
    • Inchi: 1S/C20H25N/c1-2-3-16-21-19(17-10-6-4-7-11-17)14-15-20(21)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-/m0/s1
    • InChI Key: RNYMDGBOXMIHOM-PMACEKPBSA-N
    • SMILES: N1(CCCC)[C@H](C2C=CC=CC=2)CC[C@H]1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 279.19885
  • Monoisotopic Mass: 279.198699802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 262
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • PSA: 3.24
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