ChemSpider 2D Image | 2-Acetamido(4,4,4-~2~H_3_)butanoic acid | C6H8D3NO3

2-Acetamido(4,4,4-2H3)butanoic acid

  • Molecular FormulaC6H8D3NO3
  • Average mass148.175 Da
  • Monoisotopic mass148.092728 Da
  • ChemSpider ID48059592

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Acetamido(4,4,4-2H3)butanoic acid [ACD/IUPAC Name]
2-Acetamido(4,4,4-2H3)butansäure [German] [ACD/IUPAC Name]
Acide 2-acétamido(4,4,4-2H3)butanoïque [French] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, 2-(acetylamino)- [ACD/Index Name]
(±)-2-ACETYLAMINOBUTANOIC ACID-D3
1219397-36-0 [RN]
2-acetamido-4,4,4-trideuteriobutanoic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 368.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±6.0 kJ/mol
    Flash Point: 176.5±23.2 °C
    Index of Refraction: 1.457
    Molar Refractivity: 35.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.53
    ACD/LogD (pH 5.5): -3.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 128.5±3.0 cm3

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