ChemSpider 2D Image | (2S)-2-{[(4R,5R)-1,3-Dimethyl-4,5-bis(2-methylphenyl)-2-imidazolidinylidene]amino}-3-phenyl-1-propanol | C28H33N3O

(2S)-2-{[(4R,5R)-1,3-Dimethyl-4,5-bis(2-methylphenyl)-2-imidazolidinylidene]amino}-3-phenyl-1-propanol

  • Molecular FormulaC28H33N3O
  • Average mass427.581 Da
  • Monoisotopic mass427.262360 Da
  • ChemSpider ID30658630

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-{[(4R,5R)-1,3-Dimethyl-4,5-bis(2-methylphenyl)-2-imidazolidinyliden]amino}-3-phenyl-1-propanol [German] [ACD/IUPAC Name]
(2S)-2-{[(4R,5R)-1,3-Dimethyl-4,5-bis(2-methylphenyl)-2-imidazolidinylidene]amino}-3-phenyl-1-propanol [ACD/IUPAC Name]
(2S)-2-{[(4R,5R)-1,3-Diméthyl-4,5-bis(2-méthylphényl)-2-imidazolidinylidène]amino}-3-phényl-1-propanol [French] [ACD/IUPAC Name]
Benzenepropanol, β-[[(4R,5R)-1,3-dimethyl-4,5-bis(2-methylphenyl)-2-imidazolidinylidene]amino]-, (βS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 17.41
ACD/KOC (pH 5.5): 72.67
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 17.46
ACD/KOC (pH 7.4): 72.88
Polar Surface Area: 39 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 389.0±7.0 cm3

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