ChemSpider 2D Image | Ethyl 1-[(1-methyl-3-nitro-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxylate | C12H18N4O6S

Ethyl 1-[(1-methyl-3-nitro-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxylate

  • Molecular FormulaC12H18N4O6S
  • Average mass346.359 Da
  • Monoisotopic mass346.094696 Da
  • ChemSpider ID30384811

More details:

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

1-[(1-Méthyl-3-nitro-1H-pyrazol-4-yl)sulfonyl]-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(1-methyl-3-nitro-1H-pyrazol-4-yl)sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(1-methyl-3-nitro-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(1-methyl-3-nitro-1H-pyrazol-4-yl)sulfonyl]-3-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-(1-METHYL-3-NITROPYRAZOL-4-YLSULFONYL)PIPERIDINE-3-CARBOXYLATE
ETHYL 1-[(1-METHYL-3-NITRO-1H-PYRAZOL-4-YL)SULFONYL]PIPERIDINE-3-CARBOXYLATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 520.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.8±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 81.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 54.76
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 54.76
Polar Surface Area: 136 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 222.8±7.0 cm3

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