ChemSpider 2D Image | Ethyl 1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-piperidinecarboxylate | C14H22BrN3O2

Ethyl 1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-piperidinecarboxylate

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID30358081

More details:

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

1-[(4-Bromo-3,5-diméthyl-1H-pyrazol-1-yl)méthyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(4-brom-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 404.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.5±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 82.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 43.65
ACD/KOC (pH 5.5): 400.73
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.77
ACD/KOC (pH 7.4): 980.09
Polar Surface Area: 47 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 241.0±7.0 cm3

Click to predict properties on the Chemicalize site


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