ChemSpider 2D Image | tert-butyl 1,3,6-trimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyrazine-4-carboxylate | C13H22N4O2

tert-butyl 1,3,6-trimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyrazine-4-carboxylate

  • Molecular FormulaC13H22N4O2
  • Average mass266.339 Da
  • Monoisotopic mass266.174286 Da
  • ChemSpider ID28546756

More details:

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

1,3,6-Triméthyl-1,5,6,7-tétrahydro-4H-pyrazolo[3,4-b]pyrazine-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1375473-79-2 [RN]
2-Methyl-2-propanyl 1,3,6-trimethyl-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-b]pyrazine-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,3,6-trimethyl-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-b]pyrazin-4-carboxylat [German] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-b]pyrazine-4-carboxylic acid, 1,5,6,7-tetrahydro-1,3,6-trimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 1,3,6-trimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyrazine-4-carboxylate
MFCD21602607

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

Density: 1.2±0.1 g/cm3
Boiling Point: 381.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.3±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 73.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 28.44
ACD/KOC (pH 5.5): 345.88
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.24
ACD/KOC (pH 7.4): 489.29
Polar Surface Area: 59 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 219.8±7.0 cm3

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