ChemSpider 2D Image | 2-Chloroethyl {2-[(3,4,5-trihydroxybenzoyl)amino]ethyl}carbamate | C12H15ClN2O6

2-Chloroethyl {2-[(3,4,5-trihydroxybenzoyl)amino]ethyl}carbamate

  • Molecular FormulaC12H15ClN2O6
  • Average mass318.710 Da
  • Monoisotopic mass318.061859 Da
  • ChemSpider ID32467408

More details:

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

{2-[(3,4,5-Trihydroxybenzoyl)amino]éthyl}carbamate de 2-chloroéthyle [French] [ACD/IUPAC Name]
2-Chlorethyl-{2-[(3,4,5-trihydroxybenzoyl)amino]ethyl}carbamat [German] [ACD/IUPAC Name]
2-Chloroethyl {2-[(3,4,5-trihydroxybenzoyl)amino]ethyl}carbamate [ACD/IUPAC Name]
Carbamic acid, N-[2-[(3,4,5-trihydroxybenzoyl)amino]ethyl]-, 2-chloroethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 294.5±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.43
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 46.60
Polar Surface Area: 128 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site


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