ChemSpider 2D Image | 3-(4H-Imidazol-5-yl)-L-alanine | C6H9N3O2

3-(4H-Imidazol-5-yl)-L-alanine

  • Molecular FormulaC6H9N3O2
  • Average mass155.155 Da
  • Monoisotopic mass155.069473 Da
  • ChemSpider ID24824098

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(4H-Imidazol-5-yl)-L-alanin [German] [ACD/IUPAC Name]
3-(4H-Imidazol-5-yl)-L-alanine [ACD/IUPAC Name]
3-(4H-Imidazol-5-yl)-L-alanine [French] [ACD/IUPAC Name]
4H-Imidazole-5-propanoic acid, α-amino-, (αS)- [ACD/Index Name]
(2S)-2-AMINO-3-(4H-IMIDAZOL-5-YL)PROPANOIC ACID
(2S)-2-AMINO-3-(5H-IMIDAZOL-4-YL)PROPANOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 343.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.5±6.0 kJ/mol
Flash Point: 161.4±30.7 °C
Index of Refraction: 1.660
Molar Refractivity: 37.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 101.3±7.0 cm3

Click to predict properties on the Chemicalize site


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