Cas no 245125-18-2 (1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)-)

1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)- structure
245125-18-2 structure
Product Name:1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)-
CAS No:245125-18-2
MF:C16H24N2O6
MW:340.371564865112
CID:1420822
PubChem ID:11244712
Update Time:2025-04-20

1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(4-nitrophenyl)-
    • 13-(4-nitrophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
    • DTXSID30459981
    • 245125-18-2
    • Inchi: 1S/C16H24N2O6/c19-18(20)16-3-1-15(2-4-16)17-5-7-21-9-11-23-13-14-24-12-10-22-8-6-17/h1-4H,5-14H2
    • InChI Key: BNNXWAAIMGCPND-UHFFFAOYSA-N
    • SMILES: O1CCOCCOCCOCCN(C2C=CC(=CC=2)[N+](=O)[O-])CC1

Computed Properties

  • Exact Mass: 340.16343649g/mol
  • Monoisotopic Mass: 340.16343649g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 328
  • 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: 1.1
  • Topological Polar Surface Area: 86?2
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