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Search term: 113371156 (Found by CSID)
ChemSpider 2D Image | N-Hexanoyl-L-histidine | C12H19N3O3

N-Hexanoyl-L-histidine

  • Molecular FormulaC12H19N3O3
  • Average mass253.298 Da
  • Monoisotopic mass253.142639 Da
  • ChemSpider ID113371156

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Histidine, N-(1-oxohexyl)- [ACD/Index Name]
N-Hexanoyl-L-histidin [German] [ACD/IUPAC Name]
N-Hexanoyl-L-histidine [ACD/IUPAC Name]
N-Hexanoyl-L-histidine [French] [ACD/IUPAC Name]
N-hexanoyl histidine
N-hexanoyl-histidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.5±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 210.3±3.0 cm3

Click to predict properties on the Chemicalize site


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