ChemSpider 2D Image | 2-Aminohistidine | C6H10N4O2

2-Aminohistidine

  • Molecular FormulaC6H10N4O2
  • Average mass170.169 Da
  • Monoisotopic mass170.080383 Da
  • ChemSpider ID18520630

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Aminohistidin [German] [ACD/IUPAC Name]
2-Aminohistidine [ACD/IUPAC Name]
2-Aminohistidine [French] [ACD/IUPAC Name]
39037-22-4 [RN]
Histidine, 2-amino- [ACD/Index Name]
(2S)-2-AMINO-3-(2-AMINO-1H-IMIDAZOL-4-YL)PROPANOIC ACID
(2S)-2-AMINO-3-(2-AMINO-3H-IMIDAZOL-4-YL)PROPANOIC ACID
(S)-2-Amino-3-(2-amino-1H-imidazol-4-yl)propanoic acid
B3U
MFCD09038806

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 498.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 255.4±31.5 °C
    Index of Refraction: 1.684
    Molar Refractivity: 42.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 6
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -1.70
    ACD/LogD (pH 5.5): -4.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 99.6±3.0 dyne/cm
    Molar Volume: 111.3±3.0 cm3

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