ChemSpider 2D Image | (3S)-3-Amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid | C12H17NO4

(3S)-3-Amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.115753 Da
  • ChemSpider ID97402280

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-3-(3-ethoxy-4-methoxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-3-(3-éthoxy-4-méthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-3-ethoxy-4-methoxy-, (βS)- [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: 391.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.4±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 202.3±3.0 cm3

Click to predict properties on the Chemicalize site


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