Cas no 15891-46-0 (2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propyn-1-yl)-)

2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propyn-1-yl)- structure
15891-46-0 structure
Product Name:2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propyn-1-yl)-
CAS No:15891-46-0
MF:C17H21NO
MW:255.354744672775
CID:180812
PubChem ID:85929
Update Time:2025-04-19

2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propyn-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propyn-1-yl)-
    • 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(2-propynyl)-2,6-methano-3-benzazocin-8-ol
    • 6,11-dimethyl-3-(prop-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
    • N-Propynylnormetazocine
    • BRN 1383794
    • WIN-19797
    • 15891-46-0
    • DTXSID20936019
    • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propynyl)-
    • 1,13-dimethyl-10-prop-2-ynyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
    • Inchi: 1S/C17H21NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h1,5-6,11-12,16,19H,7-10H2,2-3H3
    • InChI Key: DXRSDIZZXLDAAH-UHFFFAOYSA-N
    • SMILES: OC1C=CC2CC3C(C)C(C)(C=2C=1)CCN3CC#C

Computed Properties

  • Exact Mass: 255.16243
  • Monoisotopic Mass: 255.162314293g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 397
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 23.5?2

Experimental Properties

  • PSA: 23.47

2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propyn-1-yl)- Related Literature

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