ChemSpider 2D Image | N-Isobutyl-N-{[(4-methylcyclohexyl)sulfamoyl]acetyl}-beta-alanine | C16H30N2O5S

N-Isobutyl-N-{[(4-methylcyclohexyl)sulfamoyl]acetyl}-β-alanine

  • Molecular FormulaC16H30N2O5S
  • Average mass362.485 Da
  • Monoisotopic mass362.187531 Da
  • ChemSpider ID53661354

More details:

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

N-Isobutyl-N-{[(4-methylcyclohexyl)sulfamoyl]acetyl}-β-alanin [German] [ACD/IUPAC Name]
N-Isobutyl-N-{[(4-methylcyclohexyl)sulfamoyl]acetyl}-β-alanine [ACD/IUPAC Name]
N-Isobutyl-N-{2-[(4-méthylcyclohexyl)sulfamoyl]acétyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[(4-methylcyclohexyl)amino]sulfonyl]acetyl]-N-(2-methylpropyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 280.5±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.40
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

Click to predict properties on the Chemicalize site


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