ChemSpider 2D Image | N-[(4-Nitrophenyl)sulfonyl]-beta-alanyl-N-ethylglycine | C13H17N3O7S

N-[(4-Nitrophenyl)sulfonyl]-β-alanyl-N-ethylglycine

  • Molecular FormulaC13H17N3O7S
  • Average mass359.355 Da
  • Monoisotopic mass359.078705 Da
  • ChemSpider ID53677158

More details:

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

Glycine, N-[(4-nitrophenyl)sulfonyl]-β-alanyl-N-ethyl- [ACD/Index Name]
N-[(4-Nitrophenyl)sulfonyl]-β-alanyl-N-ethylglycin [German] [ACD/IUPAC Name]
N-[(4-Nitrophenyl)sulfonyl]-β-alanyl-N-ethylglycine [ACD/IUPAC Name]
N-[(4-Nitrophényl)sulfonyl]-β-alanyl-N-éthylglycine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.7±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 249.9±3.0 cm3

Click to predict properties on the Chemicalize site


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