Cas no 16546-79-5 (5H-Benzo[b]phosphindole, 5-methyl-)

5H-Benzo[b]phosphindole, 5-methyl- structure
16546-79-5 structure
Product Name:5H-Benzo[b]phosphindole, 5-methyl-
CAS No:16546-79-5
MF:C13H23P
MW:210.295484781265
CID:1345060
PubChem ID:71353769
Update Time:2025-04-20

5H-Benzo[b]phosphindole, 5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 5H-Benzo[b]phosphindole, 5-methyl-
    • 5-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrobenzo[b]phosphindole
    • 5-Methyldodecahydro-1H-benzo[b]phosphindole
    • 16546-79-5
    • DTXSID50778484
    • Inchi: 1S/C13H23P/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h10-13H,2-9H2,1H3
    • InChI Key: HIUJKXILEFYVBF-UHFFFAOYSA-N
    • SMILES: P1(C)C2CCCCC2C2CCCCC12

Computed Properties

  • Exact Mass: 199.06776
  • Monoisotopic Mass: 210.153737731g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
  • LogP: 4.22930
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