Cas no 220728-17-6 (1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine)

1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine structure
220728-17-6 structure
Product Name:1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine
CAS No:220728-17-6
MF:C15H22N2O3
MW:278.346784114838
CID:1406422
PubChem ID:9925627
Update Time:2025-04-20

1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine Chemical and Physical Properties

Names and Identifiers

    • 1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine
    • UCL-1972
    • AKOS040749697
    • UCL1972
    • 220728-17-6
    • 1-[5-(4-Nitro-phenoxy)-pentyl]-pyrrolidine
    • L019446
    • 1-(5-(4-nitrophenoxy)pentyl)pyrrolidine
    • CHEMBL289855
    • SCHEMBL490968
    • 1-[5-(4-Nitro-phenoxy)-pentyl]-pyrrolidine(UCL1972)
    • BDBM50089295
    • GLXC-04056
    • Inchi: 1S/C15H22N2O3/c18-17(19)14-6-8-15(9-7-14)20-13-5-1-2-10-16-11-3-4-12-16/h6-9H,1-5,10-13H2
    • InChI Key: ITOJPDNONZGUKB-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])CCCCCN1CCCC1

Computed Properties

  • Exact Mass: 278.16316
  • Monoisotopic Mass: 278.16304257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 7
  • Complexity: 279
  • 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: 3.8
  • Topological Polar Surface Area: 58.3?2

Experimental Properties

  • PSA: 55.61
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