ChemSpider 2D Image | 4-[(~2~H_3_)Methylamino]butanoic acid | C5H8D3NO2

4-[(2H3)Methylamino]butanoic acid

  • Molecular FormulaC5H8D3NO2
  • Average mass120.165 Da
  • Monoisotopic mass120.097809 Da
  • ChemSpider ID28573270

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(2H3)Methylamino]butanoic acid [ACD/IUPAC Name]
4-[(2H3)Methylamino]butansäure [German] [ACD/IUPAC Name]
Acide 4-[(2H3)méthylamino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-(methyl-d3-amino)- [ACD/Index Name]
1215511-11-7 [RN]
4-(trideuteriomethylamino)butanoic acid
N-METHYL-4-AMINOBUTYRIC ACID-D3

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 237.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 52.2±6.0 kJ/mol
    Flash Point: 97.3±22.6 °C
    Index of Refraction: 1.443
    Molar Refractivity: 30.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.41
    ACD/LogD (pH 5.5): -2.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 49 Å2
    Polarizability: 12.0±0.5 10-24cm3
    Surface Tension: 36.2±3.0 dyne/cm
    Molar Volume: 114.5±3.0 cm3

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