ChemSpider 2D Image | N-{[3-(Ethoxycarbonyl)-4-methyl-5-nitrophenyl]sulfonyl}-N-methyl-beta-alanine | C14H18N2O8S

N-{[3-(Ethoxycarbonyl)-4-methyl-5-nitrophenyl]sulfonyl}-N-methyl-β-alanine

  • Molecular FormulaC14H18N2O8S
  • Average mass374.366 Da
  • Monoisotopic mass374.078400 Da
  • ChemSpider ID54272796

More details:

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

Benzoic acid, 5-[[(2-carboxyethyl)methylamino]sulfonyl]-2-methyl-3-nitro-, 1-ethyl ester [ACD/Index Name]
N-{[3-(Ethoxycarbonyl)-4-methyl-5-nitrophenyl]sulfonyl}-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-{[3-(Ethoxycarbonyl)-4-methyl-5-nitrophenyl]sulfonyl}-N-methyl-β-alanine [ACD/IUPAC Name]
N-{[3-(Éthoxycarbonyl)-4-méthyl-5-nitrophényl]sulfonyl}-N-méthyl-β-alanine [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: 565.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.8±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 17.20
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 265.1±3.0 cm3

Click to predict properties on the Chemicalize site


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