ChemSpider 2D Image | (E)-1-tert-butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate | C14H23NO4

(E)-1-tert-butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate

  • Molecular FormulaC14H23NO4
  • Average mass269.337 Da
  • Monoisotopic mass269.162720 Da
  • ChemSpider ID26051389

More details:






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

(E)-1-tert-butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
1-(1,1-Dimethylethyl) 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate
912444-89-4 [RN]
(E)-1-Tert-butyl 4-ethyl 2,3,6,7-tetrahydro-azepine-1,4-dicarboxylate
(e)-1-tert-butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate(wx618003)
1-(tert-butyl) 4-ethyl 2,3,6,7-tetrahydro-1h-azepine-1,4-dicarboxylate
1-O-tert-butyl 4-O-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
1-tert-butyl 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate
1-tert-butyl 4-ethyl 2,3-dihydro-1H-azepine-1,4(6H,7H)-dicarboxylate
2,3,6,7-tetrahydroazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 348.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 164.6±27.9 °C
Index of Refraction: 1.487
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 117.02
ACD/KOC (pH 5.5): 1052.14
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 117.02
ACD/KOC (pH 7.4): 1052.14
Polar Surface Area: 56 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

Click to predict properties on the Chemicalize site






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