ChemSpider 2D Image | 6-[(1S)-1-Aminoethyl]-2,3,4-tribromophenol | C8H8Br3NO

6-[(1S)-1-Aminoethyl]-2,3,4-tribromophenol

  • Molecular FormulaC8H8Br3NO
  • Average mass373.867 Da
  • Monoisotopic mass370.815582 Da
  • ChemSpider ID75155127

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-[(1S)-1-Aminoethyl]-2,3,4-tribromophenol [ACD/IUPAC Name]
6-[(1S)-1-Aminoéthyl]-2,3,4-tribromophénol [French] [ACD/IUPAC Name]
6-[(1S)-1-Aminoethyl]-2,3,4-tribromphenol [German] [ACD/IUPAC Name]
Phenol, 6-[(1S)-1-aminoethyl]-2,3,4-tribromo- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 386.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 187.3±26.5 °C
Index of Refraction: 1.662
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 14.46
Polar Surface Area: 46 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 173.7±3.0 cm3

Click to predict properties on the Chemicalize site


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