ChemSpider 2D Image | tert-butyl (3R)-3-[(3-nitro-2-pyridyl)amino]pyrrolidine-1-carboxylate | C14H20N4O4

tert-butyl (3R)-3-[(3-nitro-2-pyridyl)amino]pyrrolidine-1-carboxylate

  • Molecular FormulaC14H20N4O4
  • Average mass308.333 Da
  • Monoisotopic mass308.148468 Da
  • ChemSpider ID29285766

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-tert-butyl 3-((3-nitropyridin-2-yl)amino)pyrrolidine-1-carboxylate
(R)-tert-butyl-3-((3-nitropyridin-2-yl)amino)pyrrolidine-1-carboxylate
1421028-31-0 [RN]
TERT-BUTYL (3R)-3-[(3-NITROPYRIDIN-2-YL)AMINO]PYRROLIDINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.67
ACD/KOC (pH 5.5): 855.41
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.74
ACD/KOC (pH 7.4): 856.18
Polar Surface Area: 100 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

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