ChemSpider 2D Image | 2-(Diisopropylamino)-2-oxoethyl N-[(pentamethylphenyl)sulfonyl]-beta-alaninate | C22H36N2O5S

2-(Diisopropylamino)-2-oxoethyl N-[(pentamethylphenyl)sulfonyl]-β-alaninate

  • Molecular FormulaC22H36N2O5S
  • Average mass440.597 Da
  • Monoisotopic mass440.234497 Da
  • ChemSpider ID21981260

More details:

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

2-(Diisopropylamino)-2-oxoethyl N-[(pentamethylphenyl)sulfonyl]-β-alaninate [ACD/IUPAC Name]
2-(Diisopropylamino)-2-oxoethyl-N-[(pentamethylphenyl)sulfonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(Pentaméthylphényl)sulfonyl]-β-alaninate de 2-(diisopropylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(2,3,4,5,6-pentamethylphenyl)sulfonyl]-, 2-[bis(1-methylethyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.2±32.9 °C
Index of Refraction: 1.515
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 859.39
ACD/KOC (pH 5.5): 4384.22
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 859.20
ACD/KOC (pH 7.4): 4383.29
Polar Surface Area: 101 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

Click to predict properties on the Chemicalize site


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