ChemSpider 2D Image | N,N-Diethyl-beta-alanyl-1-benzylhistidine | C20H28N4O3

N,N-Diethyl-β-alanyl-1-benzylhistidine

  • Molecular FormulaC20H28N4O3
  • Average mass372.461 Da
  • Monoisotopic mass372.216156 Da
  • ChemSpider ID59760372

More details:

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

Histidine, N,N-diethyl-β-alanyl-1-(phenylmethyl)- [ACD/Index Name]
N,N-Diethyl-β-alanyl-1-benzylhistidin [German] [ACD/IUPAC Name]
N,N-Diethyl-β-alanyl-1-benzylhistidine [ACD/IUPAC Name]
N,N-Diéthyl-β-alanyl-1-benzylhistidine [French] [ACD/IUPAC Name]
2055839-74-0 [RN]
3-(1-BENZYL-1H-IMIDAZOL-4-YL)-2-(3-(DIETHYLAMINO)PROPANAMIDO)PROPANOIC ACID
3-(1-benzyl-1H-imidazol-4-yl)-2-[3-(diethylamino)propanamido]propanoic acid
3-(1-benzylimidazol-4-yl)-2-[3-(diethylamino)propanamido]propanoic acid
MFCD30530537

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 634.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.6±3.0 kJ/mol
    Flash Point: 337.7±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 105.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): -2.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 45.4±7.0 dyne/cm
    Molar Volume: 318.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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