ChemSpider 2D Image | 3-Chloro-L-alanyl-L-alanine | C6H11ClN2O3

3-Chloro-L-alanyl-L-alanine

  • Molecular FormulaC6H11ClN2O3
  • Average mass194.616 Da
  • Monoisotopic mass194.045822 Da
  • ChemSpider ID25037158

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Chlor-L-alanyl-L-alanin [German] [ACD/IUPAC Name]
3-Chloro-L-alanyl-L-alanine [ACD/IUPAC Name]
3-Chloro-L-alanyl-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-chloro-L-alanyl- [ACD/Index Name]
(S)-2-((R)-2-Amino-3-chloropropanamido)propanoic acid
87155-78-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 429.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 213.3±28.7 °C
Index of Refraction: 1.514
Molar Refractivity: 43.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 144.0±3.0 cm3

Click to predict properties on the Chemicalize site


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