ChemSpider 2D Image | 2-[(3-Bromobenzyl)amino]ethanesulfonic acid | C9H12BrNO3S

2-[(3-Bromobenzyl)amino]ethanesulfonic acid

  • Molecular FormulaC9H12BrNO3S
  • Average mass294.165 Da
  • Monoisotopic mass292.972107 Da
  • ChemSpider ID35033474

More details:

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

2-[(3-Brombenzyl)amino]ethansulfonsäure [German] [ACD/IUPAC Name]
2-[(3-Bromobenzyl)amino]ethanesulfonic acid [ACD/IUPAC Name]
Acide 2-[(3-bromobenzyl)amino]éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[(3-bromophenyl)methyl]amino]- [ACD/Index Name]
0V8

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 62.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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