ChemSpider 2D Image | 2-Methyl-3-(methyl{N-[(2-nitrophenyl)sulfonyl]glycyl}amino)propanoic acid | C13H17N3O7S

2-Methyl-3-(methyl{N-[(2-nitrophenyl)sulfonyl]glycyl}amino)propanoic acid

  • Molecular FormulaC13H17N3O7S
  • Average mass359.355 Da
  • Monoisotopic mass359.078705 Da
  • ChemSpider ID58092260

More details:

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

2-Methyl-3-(methyl{N-[(2-nitrophenyl)sulfonyl]glycyl}amino)propanoic acid [ACD/IUPAC Name]
2-Methyl-3-(methyl{N-[(2-nitrophenyl)sulfonyl]glycyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide 2-méthyl-3-(méthyl{N-[(2-nitrophényl)sulfonyl]glycyl}amino)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-3-[methyl[2-[[(2-nitrophenyl)sulfonyl]amino]acetyl]amino]- [ACD/Index 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: 604.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.51
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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