ChemSpider 2D Image | N-[5-(Methoxycarbonyl)-2-nitrophenyl]alanine | C11H12N2O6

N-[5-(Methoxycarbonyl)-2-nitrophenyl]alanine

  • Molecular FormulaC11H12N2O6
  • Average mass268.223 Da
  • Monoisotopic mass268.069550 Da
  • ChemSpider ID26052915

More details:

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

Benzoic acid, 3-[(1-carboxyethyl)amino]-4-nitro-, 1-methyl ester [ACD/Index Name]
N-[5-(Methoxycarbonyl)-2-nitrophenyl]alanin [German] [ACD/IUPAC Name]
N-[5-(Methoxycarbonyl)-2-nitrophenyl]alanine [ACD/IUPAC Name]
N-[5-(Méthoxycarbonyl)-2-nitrophényl]alanine [French] [ACD/IUPAC Name]
1452523-40-8 [RN]
2-((5-(methoxycarbonyl)-2-nitrophenyl)amino)propanoic acid
2-{[5-(methoxycarbonyl)-2-nitrophenyl]amino}propanoic acid
2-{[5-(Methoxycarbonyl)-2-nitrophenyl]-amino}propanoic acid
2-{[5-(methoxycarbonyl)-2-nitrophenyl]-amino}propanoicacid
methoxycarbonylnitrophenylaminopropanoicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 527.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.4±3.0 kJ/mol
    Flash Point: 272.8±30.1 °C
    Index of Refraction: 1.613
    Molar Refractivity: 65.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): -0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.80
    ACD/LogD (pH 7.4): -1.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 62.7±3.0 dyne/cm
    Molar Volume: 186.6±3.0 cm3

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