ChemSpider 2D Image | Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate | C19H18N4O2

Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate

  • Molecular FormulaC19H18N4O2
  • Average mass334.372 Da
  • Monoisotopic mass334.142975 Da
  • ChemSpider ID23498994

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

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid; ethyl ester
4-Méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
641569-97-3 [RN]
Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate
Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate
Ethyl 4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoate [ACD/IUPAC Name]
Ethyl 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoate
Ethyl-4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoat [German] [ACD/IUPAC Name]
(S)-Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 546.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.5±3.0 kJ/mol
    Flash Point: 284.1±32.9 °C
    Index of Refraction: 1.624
    Molar Refractivity: 95.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 3.48
    ACD/BCF (pH 5.5): 259.52
    ACD/KOC (pH 5.5): 1860.21
    ACD/LogD (pH 7.4): 3.48
    ACD/BCF (pH 7.4): 259.76
    ACD/KOC (pH 7.4): 1861.91
    Polar Surface Area: 77 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 271.1±3.0 cm3

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