Cas no 4540-25-4 ((8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate)

(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate structure
4540-25-4 structure
Product Name:(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate
CAS No:4540-25-4
MF:C16H21NO4
MW:291.34224486351
CID:929888
PubChem ID:443007
Update Time:2025-04-19

(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate Chemical and Physical Properties

Names and Identifiers

    • (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate
    • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
    • FILLALBIN
    • Phyllalbine
    • AC1L9DUK
    • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxy-benzoate
    • SPBio_002762
    • Prestwick0_000691
    • AKOS040734897
    • Prestwick2_000691
    • 4540-25-4
    • Prestwick_1029
    • HMS1570K03
    • DTXSID20332037
    • CHEBI:8176
    • CCG-208355
    • Prestwick1_000691
    • CHEMBL2165592
    • Q27107840
    • OZKTVDIYALBSMA-UHFFFAOYSA-N
    • 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3-methoxybenzoate
    • Vanilloyltropine
    • concneorine
    • Inchi： 1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3
    • InChI Key： OZKTVDIYALBSMA-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(=C(C=1)OC)O)=O)C1CC2CCC(C1)N2C

Computed Properties

  • Exact Mass: 291.14713
  • Monoisotopic Mass: 291.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 375
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: nothing
  • Topological Polar Surface Area: 59?2

Experimental Properties

  • PSA: 59

(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
PhytoLab
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(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-hydroxy-3-methoxy-benzoate Related Literature

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