ChemSpider 2D Image | (2R)-2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}propanoic acid | C13H17NO2

(2R)-2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}propanoic acid

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID32809818

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}propanoic acid [ACD/IUPAC Name]
(2R)-2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-{4-[(2-méthyl-2-propén-1-yl)amino]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-[(2-methyl-2-propen-1-yl)amino]-, (αR)- [ACD/Index Name]
254-604-6 [EINECS]
39718-89-3 [RN]
Alminoprofen
UNII-0255AHR9GJ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 373.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 179.4±24.6 °C
Index of Refraction: 1.571
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 10.89
ACD/KOC (pH 5.5): 108.63
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 49 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 198.0±3.0 cm3

Click to predict properties on the Chemicalize site


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