ChemSpider 2D Image | tert-butyl 6-cyano-1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate | C14H19N3O2

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

  • Molecular FormulaC14H19N3O2
  • Average mass261.320 Da
  • Monoisotopic mass261.147736 Da
  • ChemSpider ID21926862

More details:

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

1050884-26-8 [RN]
2-Methyl-2-propanyl 6-cyano-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-cyan-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-carboxylat [German] [ACD/IUPAC Name]
6-Cyano-1-méthyl-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-cyano-3,4-dihydro-1-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 6-cyano-1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate
MFCD09971608 [MDL number]
NS-04056
tert-butyl 6-cyano-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 392.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 191.1±27.9 °C
    Index of Refraction: 1.570
    Molar Refractivity: 73.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 55.63
    ACD/KOC (pH 5.5): 617.91
    ACD/LogD (pH 7.4): 2.60
    ACD/BCF (pH 7.4): 55.63
    ACD/KOC (pH 7.4): 617.91
    Polar Surface Area: 58 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 41.3±7.0 dyne/cm
    Molar Volume: 225.0±7.0 cm3

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