ChemSpider 2D Image | Dimethyl N-{[4-(3-chlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}aspartate | C19H21ClN4O5

Dimethyl N-{[4-(3-chlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}aspartate

  • Molecular FormulaC19H21ClN4O5
  • Average mass420.847 Da
  • Monoisotopic mass420.120056 Da
  • ChemSpider ID23491912

More details:

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

Aspartic acid, N-[[4-(3-chlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-{[4-(3-chlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}aspartate [ACD/IUPAC Name]
Dimethyl-N-{[4-(3-chlorphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}aspartat [German] [ACD/IUPAC Name]
N-{[4-(3-Chlorophényl)-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}aspartate de diméthyle [French] [ACD/IUPAC Name]
2-{[4-(3-Chloro-phenyl)-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carbonyl]-amino}-succinic acid dimethyl ester
dimethyl 2-[[4-(3-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanedioate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 649.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±3.0 kJ/mol
    Flash Point: 346.7±31.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 103.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.14
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 2.96
    ACD/KOC (pH 5.5): 39.47
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 26.36
    ACD/KOC (pH 7.4): 350.93
    Polar Surface Area: 114 Å2
    Polarizability: 41.0±0.5 10-24cm3
    Surface Tension: 59.7±3.0 dyne/cm
    Molar Volume: 304.9±3.0 cm3

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