Cas no 3463-93-2 (2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)-)

2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)- structure
3463-93-2 structure
Product Name:2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)-
CAS No:3463-93-2
MF:C18H20N2
MW:264.364804267883
CID:305332
PubChem ID:6436240
Update Time:2025-04-19

2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)-
    • Pericalline
    • (-)-apparicine
    • 2,5-Ethano-2H-azocino(4,3-b)indole, 1,3,4,5,6,7-hexahydro-4-ethylidene-6-methylene-
    • 4-Ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-2,5-ethano-2H-azocino(4,3-b)indole
    • Apparicine (8CI)
    • CHEMBL486306
    • Gomezine
    • LS-66340
    • Tabernoschizine
    • Apparicine, Gomezine, Pericalline, Tabernoschizine
    • 3463-93-2
    • NSC 85631
    • (E)-ethylidene(methylene)[?]
    • BDBM50480310
    • (13S,14E)-14-ethylidene-12-methylidene-1,8-diazatetracyclo[11.2.2.03,11.05,9]heptadeca-3(11),4,6,9-tetraene
    • 2,5-Ethano-2H-azocino[4,3-b]indole, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)-
    • CHEBI:182901
    • Apparicine
    • (13R,14E)-14-Ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene
    • DTXSID901318532
    • SCHEMBL24588688
    • NSC-85631
    • 2,3-b]indole, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, [R-(E)]-
    • Inchi： 1S/C18H20N2/c1-3-13-10-20-7-5-16(13)12(2)17-9-18-14(4-6-19-18)8-15(17)11-20/h3-4,6,8-9,16,19H,2,5,7,10-11H2,1H3/b13-3-/t16-/m0/s1
    • InChI Key： YBWKMVPRGFJPHD-LELDJUSMSA-N
    • SMILES： N12CC3C=C4C=CNC4=CC=3C(=C)[C@@H](/C(=C\C)/C1)CC2

Computed Properties

  • Exact Mass: 264.1628
  • Monoisotopic Mass: 264.162648646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 439
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 19?2

Experimental Properties

  • Density: 1.17
  • Boiling Point: 431.2°Cat760mmHg
  • Flash Point: 214.6°C
  • Refractive Index: 1.665
  • PSA: 19.03
  • LogP: 3.90080

2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)- Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)- Related Literature

Related Categories

3463-93-2 (2,5-Ethano-2H-azocino[4,3-b]indole,4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4E,5R)-) Related Products

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