ChemSpider 2D Image | N-Dodecanoylhistidine | C18H31N3O3

N-Dodecanoylhistidine

  • Molecular FormulaC18H31N3O3
  • Average mass337.457 Da
  • Monoisotopic mass337.236542 Da
  • ChemSpider ID57507922

More details:

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

Histidine, N-(1-oxododecyl)- [ACD/Index Name]
N-Dodecanoylhistidin [German] [ACD/IUPAC Name]
N-Dodecanoylhistidine [ACD/IUPAC Name]
N-Dodecanoylhistidine [French] [ACD/IUPAC Name]
2-DODECANAMIDO-3-(3H-IMIDAZOL-4-YL)PROPANOIC ACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.4±30.1 °C
Index of Refraction: 1.518
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 11.72
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 6.90
Polar Surface Area: 95 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 309.3±3.0 cm3

Click to predict properties on the Chemicalize site


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