ChemSpider 2D Image | (S)-3-(3-hydroxy-4-methoxyphenyl)-β-alanine | C10H13NO4

(S)-3-(3-hydroxy-4-methoxyphenyl)-β-alanine

  • Molecular FormulaC10H13NO4
  • Average mass211.214 Da
  • Monoisotopic mass211.084457 Da
  • ChemSpider ID21374019

  • 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-hydroxy-4-methoxyphenyl)propanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-3-(3-hydroxy-4-methoxyphenyl)propansäure [German] [ACD/IUPAC Name]
(S)-3-(3-hydroxy-4-methoxyphenyl)-β-alanine
54503-13-8 [RN]
Acide (3S)-3-amino-3-(3-hydroxy-4-méthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-3-hydroxy-4-methoxy-, (βS)- [ACD/Index Name]
(S)-3-(3-hydroxy-4-methoxyphenyl)-??-alanine
(S)-3-(3-HYDROXY-4-METHOXYPHENYL)-β-ALANINE
(S)-3-Amino-2-(3-hydroxy-4-methoxyphenyl)propanoic acid
(S)-3-Amino-3-(3-hydroxy-4-methoxy-phenyl)-propionic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 422.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 209.0±28.7 °C
    Index of Refraction: 1.590
    Molar Refractivity: 54.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.12
    ACD/LogD (pH 5.5): -2.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 59.4±3.0 dyne/cm
    Molar Volume: 160.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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