ChemSpider 2D Image | (1S,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-one | C15H18N2O

(1S,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

  • Molecular FormulaC15H18N2O
  • Average mass242.316 Da
  • Monoisotopic mass242.141907 Da
  • ChemSpider ID32696733

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,9S,13Z)-1-Amino-13-ethyliden-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-on [German] [ACD/IUPAC Name]
(1S,9S,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one [ACD/IUPAC Name]
(1S,9S,13Z)-1-Amino-13-éthylidène-11-méthyl-6-azatricyclo[7.3.1.02,7]tridéca-2(7),3,10-trién-5-one [French] [ACD/IUPAC Name]
5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5S,9S,11Z)- [ACD/Index Name]
(?)-Huperzine A
120786-18-7 [RN]
Huperzine A [Wiki]
MFCD00171439 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 505.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 259.2±30.1 °C
    Index of Refraction: 1.626
    Molar Refractivity: 71.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): -1.75
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.82
    Polar Surface Area: 55 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 49.5±5.0 dyne/cm
    Molar Volume: 201.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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