ChemSpider 2D Image | 2-Amino-4-(3,4-dimethoxyphenyl)butanoic acid | C12H17NO4

2-Amino-4-(3,4-dimethoxyphenyl)butanoic acid

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.116000 Da
  • ChemSpider ID25795755

More details:

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

2-Amino-4-(3,4-dimethoxyphenyl)butanoic acid [ACD/IUPAC Name]
2-Amino-4-(3,4-dimethoxyphenyl)butansäure [German] [ACD/IUPAC Name]
Acide 2-amino-4-(3,4-diméthoxyphényl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-amino-3,4-dimethoxy- [ACD/Index Name]
2-AMINO-4-(3,4-DIMETHOXY-PHENYL)-BUTYRIC ACID
3,4-DIMETHOXY-DL-HOMOPHENYLALANINE
687972-70-9 [RN]
AB34462
F2147-2063
MFCD07372398

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

    Density: 1.2±0.0 g/cm3
    Boiling Point: 390.1±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±0.0 kJ/mol
    Flash Point: 189.7±0.0 °C
    Index of Refraction: 1.541
    Molar Refractivity: 63.5±0.0 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.86
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 82 Å2
    Polarizability: 25.2±0.0 10-24cm3
    Surface Tension: 45.7±0.0 dyne/cm
    Molar Volume: 201.9±0.0 cm3

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