ChemSpider 2D Image | 2-Amino(3,3,4,4-~2~H_4_)hexanedioic acid | C6H7D4NO4

2-Amino(3,3,4,4-2H4)hexanedioic acid

  • Molecular FormulaC6H7D4NO4
  • Average mass165.180 Da
  • Monoisotopic mass165.093918 Da
  • ChemSpider ID48059594

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Amino(3,3,4,4-2H4)hexandisäure [German] [ACD/IUPAC Name]
2-Amino(3,3,4,4-2H4)hexanedioic acid [ACD/IUPAC Name]
Acide 2-amino(3,3,4,4-2H4)hexanedioïque [French] [ACD/IUPAC Name]
Hexanedioic-3,3,4,4-d4 acid, 2-amino- [ACD/Index Name]
1219407-94-9 [RN]
2-amino-3,3,4,4-tetradeuteriohexanedioic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 364.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±6.0 kJ/mol
    Flash Point: 173.9±25.1 °C
    Index of Refraction: 1.515
    Molar Refractivity: 36.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.54
    ACD/LogD (pH 5.5): -3.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 120.9±3.0 cm3

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