ChemSpider 2D Image | tert-butyl 6-formyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate | C13H18N2O3

tert-butyl 6-formyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate

  • Molecular FormulaC13H18N2O3
  • Average mass250.294 Da
  • Monoisotopic mass250.131744 Da
  • ChemSpider ID24598342

More details:

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

1,1-Dimethylethyl 6-formyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
1174068-79-1 [RN]
2-Methyl-2-propanyl 6-formyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-formyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-carboxylat [German] [ACD/IUPAC Name]
6-Formyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 6-formyl-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 6-formyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate
tert-butyl 6-formyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
[1174068-79-1] [RN]
117406-87-8 [RN]
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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: 400.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 196.0±28.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 68.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.68
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.44
    ACD/KOC (pH 5.5): 391.80
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 29.44
    ACD/KOC (pH 7.4): 391.80
    Polar Surface Area: 52 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 42.8±7.0 dyne/cm
    Molar Volume: 210.3±7.0 cm3

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