ChemSpider 2D Image | MFCD08063555 | C18H13D5ClN3O

MFCD08063555

  • Molecular FormulaC18H13D5ClN3O
  • Average mass332.839 Da
  • Monoisotopic mass332.145233 Da
  • ChemSpider ID23935828

  • Non-standard isotope - Non-standard isotope

More details:

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

1173023-19-2 [RN]
4-[(7-Chlor-4-chinolinyl)amino]-2-{[(2H5)ethylamino]methyl}phenol [German] [ACD/IUPAC Name]
4-[(7-Chloro-4-quinoléinyl)amino]-2-{[(2H5)éthylamino]méthyl}phénol [French] [ACD/IUPAC Name]
4-[(7-Chloro-4-quinolinyl)amino]-2-{[(2H5)ethylamino]methyl}phenol [ACD/IUPAC Name]
79352-78-6 [RN]
DESETHYLAMODIAQUINE-(ETHYL-D5)
MFCD08063555
N-Desethyl amodiaquine diHCl
Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(ethyl-d5-amino)methyl]- [ACD/Index Name]
4-[(7-chloroquinolin-4-yl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 477.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.0±3.0 kJ/mol
    Flash Point: 242.7±28.7 °C
    Index of Refraction: 1.690
    Molar Refractivity: 96.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.03
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 4.16
    ACD/KOC (pH 7.4): 26.92
    Polar Surface Area: 57 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 58.1±3.0 dyne/cm
    Molar Volume: 251.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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