ChemSpider 2D Image | 4-[2-(Methylamino)propyl]benzoic acid | C11H15NO2

4-[2-(Methylamino)propyl]benzoic acid

  • Molecular FormulaC11H15NO2
  • Average mass193.242 Da
  • Monoisotopic mass193.110275 Da
  • ChemSpider ID45466126

More details:






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

4-[2-(Methylamino)propyl]benzoesäure [German] [ACD/IUPAC Name]
4-[2-(Methylamino)propyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[2-(méthylamino)propyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(methylamino)propyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 331.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 154.3±23.2 °C
Index of Refraction: 1.540
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 49 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 177.0±3.0 cm3

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