ChemSpider 2D Image | 5-Bromo-2-[(3R)-3-piperidinylamino]benzoic acid | C12H15BrN2O2

5-Bromo-2-[(3R)-3-piperidinylamino]benzoic acid

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID25057099
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

5-Brom-2-[(3R)-3-piperidinylamino]benzoesäure [German] [ACD/IUPAC Name]
5-Bromo-2-[(3R)-3-piperidinylamino]benzoic acid [ACD/IUPAC Name]
5-Bromo-2-[(3r)-Piperidin-3-Ylamino]benzoic Acid
Acide 5-bromo-2-[(3R)-3-pipéridinylamino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-[(3R)-3-piperidinylamino]- [ACD/Index Name]
AJD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 454.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 61 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 196.1±3.0 cm3

Click to predict properties on the Chemicalize site






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