ChemSpider 2D Image | 1-[(2-Nitrophenyl)carbamoyl]proline | C12H13N3O5

1-[(2-Nitrophenyl)carbamoyl]proline

  • Molecular FormulaC12H13N3O5
  • Average mass279.249 Da
  • Monoisotopic mass279.085510 Da
  • ChemSpider ID24756274

More details:

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

1-[(2-Nitrophenyl)carbamoyl]prolin [German] [ACD/IUPAC Name]
1-[(2-Nitrophenyl)carbamoyl]proline [ACD/IUPAC Name]
1-[(2-Nitrophényl)carbamoyl]proline [French] [ACD/IUPAC Name]
Proline, 1-[[(2-nitrophenyl)amino]carbonyl]- [ACD/Index Name]
1-([(2-NItrophenyl)amino]carbonyl)proline
1-(2-Nitro-phenylcarbamoyl)-pyrrolidine-2-carboxylic acid
1-[(2-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
1-[N-(2-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
1-{[(2-nitrophenyl)amino]carbonyl}proline
MFCD13705030 [MDL number]
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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: 583.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.7±3.0 kJ/mol
    Flash Point: 306.6±30.1 °C
    Index of Refraction: 1.673
    Molar Refractivity: 68.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.66
    ACD/LogD (pH 5.5): -0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.86
    ACD/LogD (pH 7.4): -1.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 115 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 83.5±3.0 dyne/cm
    Molar Volume: 182.5±3.0 cm3

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