ChemSpider 2D Image | Ethyl 4-[({[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]oxy}acetyl)amino]-1-piperidinecarboxylate | C16H22N4O7

Ethyl 4-[({[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]oxy}acetyl)amino]-1-piperidinecarboxylate

  • Molecular FormulaC16H22N4O7
  • Average mass382.368 Da
  • Monoisotopic mass382.148834 Da
  • ChemSpider ID22065604

More details:

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

1-Piperidinecarboxylic acid, 4-[[2-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]oxy]acetyl]amino]-, ethyl ester [ACD/Index Name]
4-[(2-{[(1-Méthyl-4-nitro-1H-pyrrol-2-yl)carbonyl]oxy}acétyl)amino]-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]oxy}acetyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]oxy}acetyl)amino]-1-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: 635.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 92.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 90.68
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 90.68
Polar Surface Area: 136 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 267.8±7.0 cm3

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