ChemSpider 2D Image | methyl 4-(4-amino-3-nitrophenyl)-2-[(tert-butoxycarbonyl)amino]butanoate | C16H23N3O6

methyl 4-(4-amino-3-nitrophenyl)-2-[(tert-butoxycarbonyl)amino]butanoate

  • Molecular FormulaC16H23N3O6
  • Average mass353.370 Da
  • Monoisotopic mass353.158691 Da
  • ChemSpider ID21499818

More details:

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

4-(4-Amino-3-nitrophényl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
benzenebutanoic acid, 4-amino-a-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-, methyl ester
Benzenebutanoic acid, 4-amino-α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-, methyl ester [ACD/Index Name]
Methyl 4-(4-amino-3-nitrophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate [ACD/IUPAC Name]
methyl 4-(4-amino-3-nitrophenyl)-2-[(tert-butoxycarbonyl)amino]butanoate
Methyl-4-(4-amino-3-nitrophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
1214161-73-5 [RN]
4-amino-α-(((tert-butoxy)carbonyl)amino)-3-nitrobenzenebutanoic acid methyl ester
4-Amino-α-[[(tert-butoxy)carbonyl]amino]-3-nitrobenzenebutanoic acid methyl ester
Methyl 4-(4-amino-3-nitrophenyl)-2-((tert-butoxycarbonyl)amino)butanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 537.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 278.6±30.1 °C
    Index of Refraction: 1.550
    Molar Refractivity: 90.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 104.37
    ACD/KOC (pH 5.5): 969.39
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 104.35
    ACD/KOC (pH 7.4): 969.20
    Polar Surface Area: 136 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 284.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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