ChemSpider 2D Image | 2-Acetamido-3-chloroalanine | C5H9ClN2O3

2-Acetamido-3-chloroalanine

  • Molecular FormulaC5H9ClN2O3
  • Average mass180.590 Da
  • Monoisotopic mass180.030167 Da
  • ChemSpider ID29777273

More details:

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

2-Acetamido-3-chloralanin [German] [ACD/IUPAC Name]
2-Acetamido-3-chloroalanine [ACD/IUPAC Name]
2-Acétamido-3-chloroalanine [French] [ACD/IUPAC Name]
Alanine, 2-(acetylamino)-3-chloro- [ACD/Index Name]
2-acetamido-2-amino-3-chloropropanoic acid
2-acetamido-2-amino-3-chloropropionic acid
99586-44-4 [RN]
MFCD20629441
PROPANOIC ACID,2-ACETAMIDO-2-AMINO-3-CHLORO-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 379.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 183.2±27.9 °C
Index of Refraction: 1.524
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 126.7±3.0 cm3

Click to predict properties on the Chemicalize site


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