ChemSpider 2D Image | Allyl N-methyl-N-[(2-nitrophenyl)sulfonyl]phenylalaninate | C19H20N2O6S

Allyl N-methyl-N-[(2-nitrophenyl)sulfonyl]phenylalaninate

  • Molecular FormulaC19H20N2O6S
  • Average mass404.437 Da
  • Monoisotopic mass404.104218 Da
  • ChemSpider ID24583162

More details:

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

Allyl N-methyl-N-[(2-nitrophenyl)sulfonyl]phenylalaninate [ACD/IUPAC Name]
Allyl-N-methyl-N-[(2-nitrophenyl)sulfonyl]phenylalaninat [German] [ACD/IUPAC Name]
N-Méthyl-N-[(2-nitrophényl)sulfonyl]phénylalaninate d'allyle [French] [ACD/IUPAC Name]
Phenylalanine, N-methyl-N-[(2-nitrophenyl)sulfonyl]-, 2-propen-1-yl ester [ACD/Index Name]
prop-2-en-1-yl 2-{methyl[(2-nitrophenyl)sulfonyl]amino}-3-phenylpropanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 970.05
ACD/KOC (pH 5.5): 4781.33
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 970.05
ACD/KOC (pH 7.4): 4781.33
Polar Surface Area: 118 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site


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