ChemSpider 2D Image | (1R,2S)-2-[(2-Bromobenzyl)(mesitylmethyl)amino]-1-phenylpropyl propionate | C29H34BrNO2

(1R,2S)-2-[(2-Bromobenzyl)(mesitylmethyl)amino]-1-phenylpropyl propionate

  • Molecular FormulaC29H34BrNO2
  • Average mass508.490 Da
  • Monoisotopic mass507.177277 Da
  • ChemSpider ID8895759

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[(2-Brombenzyl)(mesitylmethyl)amino]-1-phenylpropylpropionat [German] [ACD/IUPAC Name]
(1R,2S)-2-[(2-Bromobenzyl)(mesitylmethyl)amino]-1-phenylpropyl propionate [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-[[(2-bromophenyl)methyl][(2,4,6-trimethylphenyl)methyl]amino]ethyl]-, propanoate (ester), (αR)- [ACD/Index Name]
Propionate de (1R,2S)-2-[(2-bromobenzyl)(mésitylméthyl)amino]-1-phénylpropyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.8±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.12
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 166509.81
ACD/KOC (pH 5.5): 125949.89
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 681301.31
ACD/KOC (pH 7.4): 515343.94
Polar Surface Area: 30 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 419.6±3.0 cm3

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