ChemSpider 2D Image | 4-{4-[(2S)-2-Amino-2-hydroxypropyl]-2,6-diiodophenoxy}phenol | C15H15I2NO3

4-{4-[(2S)-2-Amino-2-hydroxypropyl]-2,6-diiodophenoxy}phenol

  • Molecular FormulaC15H15I2NO3
  • Average mass511.093 Da
  • Monoisotopic mass510.914124 Da
  • ChemSpider ID129309751

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{4-[(2S)-2-Amino-2-hydroxypropyl]-2,6-diiodophenoxy}phenol [ACD/IUPAC Name]
4-{4-[(2S)-2-Amino-2-hydroxypropyl]-2,6-diiodophénoxy}phénol [French] [ACD/IUPAC Name]
4-{4-[(2S)-2-Amino-2-hydroxypropyl]-2,6-diiodphenoxy}phenol [German] [ACD/IUPAC Name]
Benzeneethanol, α-amino-4-(4-hydroxyphenoxy)-3,5-diiodo-α-methyl-, (αS)- [ACD/Index Name]
1380782-27-3 [RN]
T2AA

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

Density: 2.0±0.1 g/cm3
Boiling Point: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 24.76
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 102.70
ACD/KOC (pH 7.4): 816.18
Polar Surface Area: 76 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 253.2±3.0 cm3

Click to predict properties on the Chemicalize site


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