ChemSpider 2D Image | 1-(3,4-Dimethylphenoxy)-3-[(1,1-dioxidotetrahydro-3-thiophenyl)(4-propoxybenzyl)amino]-2-propanol | C25H35NO5S

1-(3,4-Dimethylphenoxy)-3-[(1,1-dioxidotetrahydro-3-thiophenyl)(4-propoxybenzyl)amino]-2-propanol

  • Molecular FormulaC25H35NO5S
  • Average mass461.614 Da
  • Monoisotopic mass461.223602 Da
  • ChemSpider ID23458161

More details:

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

1-(3,4-Dimethylphenoxy)-3-[(1,1-dioxidotetrahydro-3-thiophenyl)(4-propoxybenzyl)amino]-2-propanol [ACD/IUPAC Name]
1-(3,4-Dimethylphenoxy)-3-[(1,1-dioxidotetrahydro-3-thiophenyl)(4-propoxybenzyl)amino]-2-propanol [German] [ACD/IUPAC Name]
1-(3,4-Dimethylphenoxy)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)(4-propoxybenzyl)amino]propan-2-ol
1-(3,4-Diméthylphénoxy)-3-[(1,1-dioxydotétrahydro-3-thiophényl)(4-propoxybenzyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(3,4-dimethylphenoxy)-3-[[(4-propoxyphenyl)methyl](tetrahydro-1,1-dioxido-3-thienyl)amino]- [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: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.4±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 169.90
ACD/KOC (pH 5.5): 1177.96
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.41
ACD/KOC (pH 7.4): 2006.52
Polar Surface Area: 84 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 378.1±5.0 cm3

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