ChemSpider 2D Image | 1-[(3-Methylbutyl)(2-thienylmethyl)amino]-3-phenoxy-2-propanol | C19H27NO2S

1-[(3-Methylbutyl)(2-thienylmethyl)amino]-3-phenoxy-2-propanol

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID22625045

More details:






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

1-[(3-Methylbutyl)(2-thienylmethyl)amino]-3-phenoxy-2-propanol [ACD/IUPAC Name]
1-[(3-Methylbutyl)(2-thienylmethyl)amino]-3-phenoxy-2-propanol [German] [ACD/IUPAC Name]
1-[(3-Méthylbutyl)(2-thiénylméthyl)amino]-3-phénoxy-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(3-methylbutyl)(2-thienylmethyl)amino]-3-phenoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 468.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.2±27.3 °C
Index of Refraction: 1.565
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 16.68
ACD/KOC (pH 5.5): 85.04
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 517.63
ACD/KOC (pH 7.4): 2639.11
Polar Surface Area: 61 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site






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