ChemSpider 2D Image | [5-({Isobutyl[(3-methyl-2-thienyl)methyl]amino}methyl)-2-methoxyphenyl]methanol | C19H27NO2S

[5-({Isobutyl[(3-methyl-2-thienyl)methyl]amino}methyl)-2-methoxyphenyl]methanol

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID29621996

More details:






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

[5-({Isobutyl[(3-methyl-2-thienyl)methyl]amino}methyl)-2-methoxyphenyl]methanol [German] [ACD/IUPAC Name]
[5-({Isobutyl[(3-methyl-2-thienyl)methyl]amino}methyl)-2-methoxyphenyl]methanol [ACD/IUPAC Name]
[5-({Isobutyl[(3-méthyl-2-thiényl)méthyl]amino}méthyl)-2-méthoxyphényl]méthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 2-methoxy-5-[[(2-methylpropyl)[(3-methyl-2-thienyl)methyl]amino]methyl]- [ACD/Index Name]
(2-METHOXY-5-{[(2-METHYLPROPYL)[(3-METHYLTHIOPHEN-2-YL)METHYL]AMINO]METHYL}PHENYL)METHANOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 440.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.4±27.3 °C
Index of Refraction: 1.572
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 10.36
ACD/KOC (pH 5.5): 59.89
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 328.11
ACD/KOC (pH 7.4): 1896.17
Polar Surface Area: 61 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 300.2±3.0 cm3

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