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Search term: GUBGXBDJXWOIFT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(2S)-2-Aminopropyl]benzoic acid | C10H13NO2

4-[(2S)-2-Aminopropyl]benzoic acid

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID110570482

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(2S)-2-Aminopropyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(2S)-2-Aminopropyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2S)-2-aminopropyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2S)-2-aminopropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 333.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 155.7±23.2 °C
Index of Refraction: 1.569
Molar Refractivity: 50.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 155.3±3.0 cm3

Click to predict properties on the Chemicalize site


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