Cas no 2122-36-3 (Apparicine)

Apparicine structure
Apparicine structure
Product Name:Apparicine
CAS No:2122-36-3
MF:C18H20N2
MW:264.364804267883
MDL:MFCD06809953
CID:1080732
PubChem ID:5281349
Update Time:2025-04-20

Apparicine Chemical and Physical Properties

Names and Identifiers

    • Apparicine
    • (-)-Apparicin
    • (-)-Apparicine
    • (-)-Gomezine
    • (-)-Pericalline
    • [ "" ]
    • CHEBI:78
    • A,5-ethano-2H-azocino[4,3-b]indole
    • (13S, 14E)-14-ethylidene-12-methylidene-1, 10-diazatetracyclo[11.2.2.03, 11.04, 9]heptadeca-3(11), 4, 6, 8-tetraene
    • C09036
    • Q27105225
    • [5S,4E,(-)]-4-Ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-2alpha,5-ethano-2H-azocino[4,3-b]indole
    • CHEMBL285671
    • DTXSID30415108
    • 2122-36-3
    • SCHEMBL22836776
    • (13S,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene
    • [5S,4E,(-)]-4-Ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-2
    • AKOS040735348
    • BDBM50593481
    • MDL： MFCD06809953
    • Inchi： 1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3-/t14-/m1/s1
    • InChI Key： LCVACABZTLIWCE-CRAFIKPXSA-N
    • SMILES： N12CC3C4C=CC=CC=4NC=3C(=C)[C@H](/C(=C\C)/C1)CC2

Computed Properties

  • Exact Mass: 264.16300
  • Monoisotopic Mass: 264.162649
  • 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
  • Topological Polar Surface Area: 19
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.17±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 188-191 oC
  • Boiling Point: 431.2°C at 760 mmHg
  • Flash Point: 214.6°C
  • Refractive Index: 1.665
  • Solubility: Very slightly soluble (0.17 g/l) (25 o C),
  • PSA: 19.03000
  • LogP: 3.90080

Apparicine Security Information

  • Storage Condition：Store at room temperature, 2-8 ℃ is better

Apparicine Pricemore >>

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