ChemSpider 2D Image | N-[(3-Methoxy-4-nitrophenyl)sulfonyl]-N-methyl-beta-alanine | C11H14N2O7S

N-[(3-Methoxy-4-nitrophenyl)sulfonyl]-N-methyl-β-alanine

  • Molecular FormulaC11H14N2O7S
  • Average mass318.303 Da
  • Monoisotopic mass318.052185 Da
  • ChemSpider ID54272829

More details:

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

N-[(3-Methoxy-4-nitrophenyl)sulfonyl]-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-[(3-Methoxy-4-nitrophenyl)sulfonyl]-N-methyl-β-alanine [ACD/IUPAC Name]
N-[(3-Méthoxy-4-nitrophényl)sulfonyl]-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(3-methoxy-4-nitrophenyl)sulfonyl]-N-methyl- [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: 554.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.0±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 218.5±3.0 cm3

Click to predict properties on the Chemicalize site


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