ChemSpider 2D Image | beta-Alanyl-3-(4H-imidazol-4-yl)alanine | C9H14N4O3

β-Alanyl-3-(4H-imidazol-4-yl)alanine

  • Molecular FormulaC9H14N4O3
  • Average mass226.232 Da
  • Monoisotopic mass226.106583 Da
  • ChemSpider ID19821327

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Alanine, β-alanyl-3-(4H-imidazol-4-yl)- [ACD/Index Name]
L-alanine, β-alanyl-3-(4H-imidazol-4-yl)-
β-Alanyl-3-(4H-imidazol-4-yl)alanin [German] [ACD/IUPAC Name]
β-Alanyl-3-(4H-imidazol-4-yl)alanine [ACD/IUPAC Name]
β-Alanyl-3-(4H-imidazol-4-yl)alanine [French] [ACD/IUPAC Name]
β-Alanyl-3-(4H-imidazol-4-yl)-L-alanine
(2S)-2-(3-AMINOPROPANAMIDO)-3-(4H-IMIDAZOL-4-YL)PROPANOIC ACID
(2S)-2-(3-aminopropanoylamino)-3-(4H-imidazol-4-yl)propanoic acid
305-84-0 [RN]
L-Carnosine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00005207 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.646
    Molar Refractivity: 55.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -1.96
    ACD/LogD (pH 5.5): -4.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.94
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 117 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 64.7±7.0 dyne/cm
    Molar Volume: 151.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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