ChemSpider 2D Image | 3-Amino-3-[2,4-bis(benzyloxy)phenyl]propanoic acid | C23H23NO4

3-Amino-3-[2,4-bis(benzyloxy)phenyl]propanoic acid

  • Molecular FormulaC23H23NO4
  • Average mass377.433 Da
  • Monoisotopic mass377.162720 Da
  • ChemSpider ID32821397

More details:

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

1820648-21-2 [RN]
3-Amino-3-[2,4-bis(benzyloxy)phenyl]propanoic acid [ACD/IUPAC Name]
3-Amino-3-[2,4-bis(benzyloxy)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-amino-3-[2,4-bis(benzyloxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-2,4-bis(phenylmethoxy)- [ACD/Index Name]
3-Amino-3-(2,4-bis(benzyloxy)phenyl)propanoic acid
CS-11698
MFCD27986808 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 591.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.8±3.0 kJ/mol
    Flash Point: 311.5±30.1 °C
    Index of Refraction: 1.620
    Molar Refractivity: 107.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.93
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 1.22
    ACD/KOC (pH 5.5): 7.82
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 1.22
    ACD/KOC (pH 7.4): 7.83
    Polar Surface Area: 82 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 307.2±3.0 cm3

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