ChemSpider 2D Image | 3-Hydroxy-2,3-dimethyl-2-butanyl 4-(3-{[(2-furylmethyl)amino]methyl}phenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate | C29H41NO4

3-Hydroxy-2,3-dimethyl-2-butanyl 4-(3-{[(2-furylmethyl)amino]methyl}phenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC29H41NO4
  • Average mass467.640 Da
  • Monoisotopic mass467.303558 Da
  • ChemSpider ID57394478

More details:

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

1956332-05-0 [RN]
3-Hydroxy-2,3-dimethyl-2-butanyl 4-(3-{[(2-furylmethyl)amino]methyl}phenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
3-Hydroxy-2,3-dimethyl-2-butanyl-4-(3-{[(2-furylmethyl)amino]methyl}phenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
3-hydroxy-2,3-dimethylbutan-2-yl 4-[3-({[(furan-2-yl)methyl]amino}methyl)phenyl]-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
4-(3-{[(2-Furylméthyl)amino]méthyl}phényl)-1,7,7-triméthylbicyclo[2.2.1]heptane-2-carboxylate de 3-hydroxy-2,3-diméthyl-2-butanyle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2-carboxylic acid, 4-[3-[[(2-furanylmethyl)amino]methyl]phenyl]-1,7,7-trimethyl-, 2-hydroxy-1,1,2-trimethylpropyl ester [ACD/Index Name]
3-Hydroxy-2,3-dimethylbutan-2-yl 4-(3-(((furan-2-ylmethyl)amino)methyl)phenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
MFCD20527085

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 49.45
ACD/KOC (pH 5.5): 127.79
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 2476.89
ACD/KOC (pH 7.4): 6400.78
Polar Surface Area: 72 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 420.2±3.0 cm3

Click to predict properties on the Chemicalize site


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