ChemSpider 2D Image | Cimaterol-d7 | C12H10D7N3O

Cimaterol-d7

  • Molecular FormulaC12H10D7N3O
  • Average mass226.326 Da
  • Monoisotopic mass226.181107 Da
  • ChemSpider ID35147868

  • Non-standard isotope - Non-standard isotope

More details:

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

1228182-44-2 [RN]
2-Amino-5-(1-hydroxy-2-isopropyl-d7-aminoethyl)benzonitrile
2-Amino-5-{1-hydroxy-2-[(2H7)-2-propanylamino]ethyl}benzonitril [German] [ACD/IUPAC Name]
2-Amino-5-{1-hydroxy-2-[(2H7)-2-propanylamino]ethyl}benzonitrile [ACD/IUPAC Name]
2-Amino-5-{1-hydroxy-2-[(2H7)-2-propanylamino]éthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-amino-5-[1-hydroxy-2-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]ethyl]- [ACD/Index Name]
Cimaterol-d7
MFCD16652571
2-Amino-5-(1-hydroxy-2-{[(2H7)propan-2-yl]amino}ethyl)benzonitrile
2-amino-5-[1-hydroxy-2-[[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]amino]ethyl]benzonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 436.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 217.8±28.7 °C
    Index of Refraction: 1.573
    Molar Refractivity: 63.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): -2.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 82 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 54.3±5.0 dyne/cm
    Molar Volume: 191.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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