ChemSpider 2D Image | tert-butyl (1R,6S)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate | C19H28N2O2

tert-butyl (1R,6S)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID29785955
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,6S)-7-[(1R)-1-Phényléthyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1820572-07-3 [RN]
2-Methyl-2-propanyl (1R,6S)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,6S)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octan-3-carboxylat [German] [ACD/IUPAC Name]
3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 7-[(1R)-1-phenylethyl]-, 1,1-dimethylethyl ester, (1R,6S)- [ACD/Index Name]
tert-butyl (1R,6S)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
(1R,6S)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane
(1R,6S)-tert-Butyl 7-((R)-1-phenylethyl)-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
CS-11593
MFCD09832168 [MDL number]
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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: 398.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.9±27.9 °C
Index of Refraction: 1.548
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 27.98
ACD/KOC (pH 7.4): 201.42
Polar Surface Area: 33 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

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