Cas no 537-30-4 (CONVOLVINE)

CONVOLVINE structure
CONVOLVINE structure
Product Name:CONVOLVINE
CAS No:537-30-4
MF:C16H21NO4
MW:291.34224486351
CID:882162
PubChem ID:279064
Update Time:2025-09-22

CONVOLVINE Chemical and Physical Properties

Names and Identifiers

    • CONVOLVINE
    • Veratric acid, 3.α.-nortropanyl ester
    • benzoic acid, 3,4-dimethoxy-, 8-azabicyclo[3.2.1]oct-3-yl ester
    • Benzoic acid, 3,4-dimethoxy-, 8-azabicyclo[3.2.1]oct-3-yl ester, endo-
    • DTXSID30968462
    • Q27106224
    • SR-01000530605
    • AKOS005224297
    • 8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
    • Veratric acid, 3.alpha.-nortropanyl ester
    • NSC-129222
    • 537-30-4
    • ChemDiv2_002222
    • Convolvin
    • 1ST169573
    • CHEBI:3870
    • Oprea1_486207
    • 8-Azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate
    • HMS1375E22
    • FT-0724889
    • Benzoic acid,4-dimethoxy-, 8-azabicyclo[3.2.1]oct-3-yl ester, endo-
    • 8-Azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate #
    • ST023278
    • NS00094392
    • SR-01000530605-1
    • HDLNHIIKSUHARQ-UHFFFAOYSA-N
    • NSC129222
    • Veratroylnortropine
    • FS-6676
    • Norconvolamine
    • O-Methyl N-demethylphyllalbine
    • N-Demethylconvolamine
    • Inchi: 1S/C16H21NO4/c1-19-14-6-3-10(7-15(14)20-2)16(18)21-13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3
    • InChI Key: HDLNHIIKSUHARQ-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=C(C=1)OC)OC)=O)C1CC2CCC(C1)N2

Computed Properties

  • Exact Mass: 291.14713
  • Monoisotopic Mass: 291.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 363
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 56.8A^2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.21
  • Boiling Point: 423.8°C at 760 mmHg
  • Flash Point: 210.1°C
  • Refractive Index: 1.56
  • PSA: 56.79
  • LogP: 2.47240

CONVOLVINE Pricemore >>

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