ChemSpider 2D Image | N-[(3-Nitrophenyl)carbamoyl]alanine | C10H11N3O5

N-[(3-Nitrophenyl)carbamoyl]alanine

  • Molecular FormulaC10H11N3O5
  • Average mass253.211 Da
  • Monoisotopic mass253.069870 Da
  • ChemSpider ID23366372

More details:

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

Alanine, N-[[(3-nitrophenyl)amino]carbonyl]- [ACD/Index Name]
N-[(3-Nitrophenyl)carbamoyl]alanin [German] [ACD/IUPAC Name]
N-[(3-Nitrophenyl)carbamoyl]alanine [ACD/IUPAC Name]
N-[(3-Nitrophényl)carbamoyl]alanine [French] [ACD/IUPAC Name]
1164136-66-6 [RN]
2-[(3-nitrophenyl)carbamoylamino]propanoic acid
2-[3-(3-Nitro-phenyl)-ureido]-propionic acid
2-{[(3-NITROPHENYL)CARBAMOYL]AMINO}PROPANOIC ACID
2-{[N-(3-nitrophenyl)carbamoyl]amino}propanoic acid
alanine, N-[[(3-nitrophenyl)amino]carbonyl]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 436.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 218.1±28.7 °C
    Index of Refraction: 1.637
    Molar Refractivity: 61.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): -1.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 124 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 68.9±3.0 dyne/cm
    Molar Volume: 171.2±3.0 cm3

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