ChemSpider 2D Image | 4-[(1-Hydroxy-2-butanyl)amino]-N-isopropyl-3-nitrobenzenesulfonamide | C13H21N3O5S

4-[(1-Hydroxy-2-butanyl)amino]-N-isopropyl-3-nitrobenzenesulfonamide

  • Molecular FormulaC13H21N3O5S
  • Average mass331.388 Da
  • Monoisotopic mass331.120178 Da
  • ChemSpider ID21961392

More details:

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

4-[(1-Hydroxy-2-butanyl)amino]-N-isopropyl-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
4-[(1-Hydroxy-2-butanyl)amino]-N-isopropyl-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
4-[(1-Hydroxy-2-butanyl)amino]-N-isopropyl-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[1-(hydroxymethyl)propyl]amino]-N-(1-methylethyl)-3-nitro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.5±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.11
ACD/KOC (pH 5.5): 398.18
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.11
ACD/KOC (pH 7.4): 398.15
Polar Surface Area: 133 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 252.1±3.0 cm3

Click to predict properties on the Chemicalize site


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