ChemSpider 2D Image | 1-Boc-pyrazole | C8H12N2O2

1-Boc-pyrazole

  • Molecular FormulaC8H12N2O2
  • Average mass168.193 Da
  • Monoisotopic mass168.089874 Da
  • ChemSpider ID21473025

More details:






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

1-(tert-Butoxycarbonyl)pyrazole
1-Boc-pyrazole
1H-Pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
219580-32-2 [RN]
2-Methyl-2-propanyl 1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
MFCD00800729 [MDL number]
tert-butyl 1H-pyrazole-1-carboxylate
[219580-32-2]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 231.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 94.0±22.6 °C
Index of Refraction: 1.507
Molar Refractivity: 46.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.47
ACD/KOC (pH 5.5): 146.83
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.47
ACD/KOC (pH 7.4): 146.83
Polar Surface Area: 44 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 36.1±7.0 dyne/cm
Molar Volume: 154.8±7.0 cm3

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