ChemSpider 2D Image | 2-(4-((tert-Butoxycarbonyl)amino)phenyl)nicotinic acid | C17H18N2O4

2-(4-((tert-Butoxycarbonyl)amino)phenyl)nicotinic acid

  • Molecular FormulaC17H18N2O4
  • Average mass314.336 Da
  • Monoisotopic mass314.126648 Da
  • ChemSpider ID26524153

More details:

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

1261951-56-7 [RN]
2-(4-((tert-Butoxycarbonyl)amino)phenyl)nicotinic acid
2-[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl]nicotinic acid [ACD/IUPAC Name]
2-[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl]nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]- [ACD/Index Name]
Acide 2-[4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)phényl]nicotinique [French] [ACD/IUPAC Name]
[1261951-56-7] [RN]
2-(4-{[(TERT-BUTOXY)CARBONYL]AMINO}PHENYL)PYRIDINE-3-CARBOXYLIC ACID
2-(4-BOC-Aminophenyl)nicotinic acid
2-(4-boc-aminophenyl)nicotinicacid
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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: 430.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±3.0 kJ/mol
    Flash Point: 214.3±25.9 °C
    Index of Refraction: 1.603
    Molar Refractivity: 85.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 1.11
    ACD/KOC (pH 5.5): 9.60
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.01
    Polar Surface Area: 89 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 249.5±3.0 cm3

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