ChemSpider 2D Image | tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate | C12H18N4O4

tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

  • Molecular FormulaC12H18N4O4
  • Average mass282.296 Da
  • Monoisotopic mass282.132813 Da
  • ChemSpider ID30804631

More details:

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

1056024-38-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-(4-nitro-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(4-nitro-1H-pyrazol-1-yl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-nitro-1H-pyrazol-1-yl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Nitro-1H-pyrazol-1-yl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
MFCD14155812
SS-3799
TERT-BUTYL 3-(4-NITROPYRAZOL-1-YL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 423.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 209.9±25.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 71.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 1.95
    ACD/BCF (pH 5.5): 17.75
    ACD/KOC (pH 5.5): 272.79
    ACD/LogD (pH 7.4): 1.95
    ACD/BCF (pH 7.4): 17.75
    ACD/KOC (pH 7.4): 272.79
    Polar Surface Area: 93 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 53.1±7.0 dyne/cm
    Molar Volume: 207.0±7.0 cm3

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