ChemSpider 2D Image | 1-Ethyl-D-histidine | C8H13N3O2

1-Ethyl-D-histidine

  • Molecular FormulaC8H13N3O2
  • Average mass183.208 Da
  • Monoisotopic mass183.100784 Da
  • ChemSpider ID65686629

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-D-histidin [German] [ACD/IUPAC Name]
1-Ethyl-D-histidine [ACD/IUPAC Name]
1-Éthyl-D-histidine [French] [ACD/IUPAC Name]
D-Histidine, 1-ethyl- [ACD/Index Name]
(2R)-2-amino-3-(1-ethyl-1H-imidazol-4-yl)propanoic acid
2171235-53-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 414.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.6±25.9 °C
Index of Refraction: 1.597
Molar Refractivity: 47.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 138.8±7.0 cm3

Click to predict properties on the Chemicalize site


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