ChemSpider 2D Image | N-(4-Ethoxy-5-methoxy-2-nitrobenzoyl)-beta-alanine | C13H16N2O7

N-(4-Ethoxy-5-methoxy-2-nitrobenzoyl)-β-alanine

  • Molecular FormulaC13H16N2O7
  • Average mass312.275 Da
  • Monoisotopic mass312.095764 Da
  • ChemSpider ID30096728

More details:






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

N-(4-Ethoxy-5-methoxy-2-nitrobenzoyl)-β-alanin [German] [ACD/IUPAC Name]
N-(4-Ethoxy-5-methoxy-2-nitrobenzoyl)-β-alanine [ACD/IUPAC Name]
N-(4-Éthoxy-5-méthoxy-2-nitrobenzoyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(4-ethoxy-5-methoxy-2-nitrobenzoyl)- [ACD/Index Name]
3-[(4-ETHOXY-5-METHOXY-2-NITROPHENYL)FORMAMIDO]PROPANOIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 517.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 266.7±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site






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