Cas no 109063-87-8 (14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI))

14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI) structure
109063-87-8 structure
Product Name:14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI)
CAS No:109063-87-8
MF:C19H26N2O
MW:298.422544956207
CID:174551
Update Time:2024-03-01

14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI)
    • 14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, [7R-(7R*,14bS*)]-
    • Strictanol
    • 14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol, 7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI)
    • Quebrachamine 7-hydroxyindolenine
    • Inchi: 1S/C19H26N2O/c1-2-18-9-5-12-21(14-18)13-11-19(22)15-6-3-4-7-16(15)20-17(19)8-10-18/h3-4,6-7,22H,2,5,8-14H2,1H3/t18-,19+/m1/s1
    • InChI Key: QNNPSMFAKZAUMA-MOPGFXCFSA-N
    • SMILES: N1C2=C(C=CC=C2)[C@@]2(O)CCN3C[C@](CC)(CCC3)CCC=12

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • XLogP3: 1.626

Experimental Properties

  • Density: 1.20±0.1 g/cm3(Predicted)
  • Boiling Point: 450.9±45.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.43±0.40(Predicted)

14bH-3,7-Methanoazacycloundecino[5,4-b]indol-14b-ol,7-ethyl-1,2,4,5,6,7,8,9-octahydro-, (7R,14bS)- (9CI) Related Literature

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