ChemSpider 2D Image | 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate | C12H19NO4

2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID22837222
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,3S,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
(1R,3S,4S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptan-3-carbonsäure [German] [ACD/IUPAC Name]
(1R,3S,4S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptane-3-carboxylic acid [ACD/IUPAC Name]
(1R,3S,4S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
291775-59-2 [RN]
2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1R,3S,4S)- [ACD/Index Name]
Acide (1R,3S,4S)-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptane-3-carboxylique [French] [ACD/IUPAC Name]
MFCD11099876 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 371.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.9±6.0 kJ/mol
Flash Point: 178.2±23.2 °C
Index of Refraction: 1.527
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.49
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 195.7±3.0 cm3

Click to predict properties on the Chemicalize site






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