ChemSpider 2D Image | N-Methyl-N-[(3-nitrophenyl)sulfonyl]glycyl-N-methyl-beta-alanine | C13H17N3O7S

N-Methyl-N-[(3-nitrophenyl)sulfonyl]glycyl-N-methyl-β-alanine

  • Molecular FormulaC13H17N3O7S
  • Average mass359.355 Da
  • Monoisotopic mass359.078705 Da
  • ChemSpider ID53799945

More details:

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

N-Methyl-N-[(3-nitrophenyl)sulfonyl]glycyl-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-[(3-nitrophenyl)sulfonyl]glycyl-N-methyl-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-[(3-nitrophényl)sulfonyl]glycyl-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[(3-nitrophenyl)sulfonyl]glycyl-N-methyl- [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: 591.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.4±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


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