ChemSpider 2D Image | 1-Ethyl 3-(2-methyl-2-propanyl) (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate | C13H21NO4

1-Ethyl 3-(2-methyl-2-propanyl) (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate

  • Molecular FormulaC13H21NO4
  • Average mass255.310 Da
  • Monoisotopic mass255.147064 Da
  • ChemSpider ID94289598

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylate de 1-éthyle et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-Ethyl 3-(2-methyl-2-propanyl) (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate [ACD/IUPAC Name]
1-Ethyl-3-(2-methyl-2-propanyl)-(1R,5R)-3-azabicyclo[3.1.0]hexan-1,3-dicarboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylic acid, 3-(1,1-dimethylethyl) 1-ethyl ester, (1R,5R)- [ACD/Index Name]
1204820-72-3 [RN]
3-tert-butyl 1-ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
MFCD31808263
MFCD32691453
O3-tert-butyl O1-ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
rac-3-tert-butyl 1-ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 144.5±23.2 °C
Index of Refraction: 1.518
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.07
ACD/KOC (pH 5.5): 471.01
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.07
ACD/KOC (pH 7.4): 471.01
Polar Surface Area: 56 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 214.6±3.0 cm3

Click to predict properties on the Chemicalize site


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