ChemSpider 2D Image | 5-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzenesulfonate | C25H34N2O7S

5-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzenesulfonate

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID21544388

More details:

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

4-Acétamidobenzènesulfonate de 5-{[(3,3-diméthylbutanoyl)(2-méthoxyéthyl)amino]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
5-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzenesulfonate [ACD/IUPAC Name]
5-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl-4-acetamidobenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-(acetylamino)-, 5-[[(3,3-dimethyl-1-oxobutyl)(2-methoxyethyl)amino]methyl]-2-methoxyphenyl ester [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: 706.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.40
ACD/KOC (pH 5.5): 1198.66
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.40
ACD/KOC (pH 7.4): 1198.66
Polar Surface Area: 120 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 415.8±3.0 cm3

Click to predict properties on the Chemicalize site


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