ChemSpider 2D Image | N-(5-Bromo-2-hydroxybenzyl)-beta-alanine | C10H12BrNO3

N-(5-Bromo-2-hydroxybenzyl)-β-alanine

  • Molecular FormulaC10H12BrNO3
  • Average mass274.111 Da
  • Monoisotopic mass273.000061 Da
  • ChemSpider ID21126039

More details:

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

N-(5-Brom-2-hydroxybenzyl)-β-alanin [German] [ACD/IUPAC Name]
N-(5-Bromo-2-hydroxybenzyl)-β-alanine [ACD/IUPAC Name]
N-(5-Bromo-2-hydroxybenzyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(5-bromo-2-hydroxyphenyl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 440.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 220.2±27.3 °C
Index of Refraction: 1.606
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 173.3±3.0 cm3

Click to predict properties on the Chemicalize site


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