ChemSpider 2D Image | (1S,2S,4R)-7-(Tert-butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-Carboxylic acid | C12H19NO4

(1S,2S,4R)-7-(Tert-butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-Carboxylic acid

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID24599125
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,2S,4R)-7-(Tert-butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-Carboxylic acid
(1S,2S,4R)-7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,2S,4R)-7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]heptane-2-carboxylic acid [ACD/IUPAC Name]
7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester, (1S,2S,4R)- [ACD/Index Name]
918411-46-8 [RN]
Acide (1S,2S,4R)-7-{[(2-méthyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(1R,3S,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-3-carboxylic acid
(1S,2S,4R)-7-(Boc)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
(1S,2S,4R)-7-(TERT-BUTOXYCARBONYL)-7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLICACID
(1S,2S,4R)-7-N-Boc-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
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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: 1.07
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 18.65
ACD/LogD (pH 7.4): -1.13
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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