ChemSpider 2D Image | Methyl N-(3-nitrobenzoyl)-beta-alanylalaninate | C14H17N3O6

Methyl N-(3-nitrobenzoyl)-β-alanylalaninate

  • Molecular FormulaC14H17N3O6
  • Average mass323.301 Da
  • Monoisotopic mass323.111725 Da
  • ChemSpider ID25958005

More details:

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

Alanine, N-(3-nitrobenzoyl)-β-alanyl-, methyl ester [ACD/Index Name]
Methyl N-(3-nitrobenzoyl)-β-alanylalaninate [ACD/IUPAC Name]
MethylN-(3-nitrobenzoyl)-β-alanylalaninat [German] [ACD/IUPAC Name]
N-(3-Nitrobenzoyl)-β-alanylalaninate de méthyle [French] [ACD/IUPAC Name]
methyl 2-(3-(3-nitrobenzamido)propanamido)propanoate
methyl 2-{3-[(3-nitrophenyl)formamido]propanamido}propanoate
methyl N-[(3-nitrophenyl)carbonyl]-β-alanylalaninate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±27.3 °C
Index of Refraction: 1.548
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.20
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 44.20
Polar Surface Area: 130 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 250.5±3.0 cm3

Click to predict properties on the Chemicalize site


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