ChemSpider 2D Image | RTI-120 | C22H25NO2

RTI-120

  • Molecular FormulaC22H25NO2
  • Average mass335.439 Da
  • Monoisotopic mass335.188538 Da
  • ChemSpider ID34948082
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2S,3S,5S)-8-Méthyl-3-(4-méthylphényl)-8-azabicyclo[3.2.1]octane-2-carboxylate de phényle [French] [ACD/IUPAC Name]
146145-20-2 [RN]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-(4-methylphenyl)-, phenyl ester, (1R,2S,3S,5S)- [ACD/Index Name]
Phenyl (1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Phenyl-(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
RTI-120 [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 462.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 149.1±19.6 °C
Index of Refraction: 1.578
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 6.64
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 10.05
ACD/KOC (pH 7.4): 40.75
Polar Surface Area: 30 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

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