ChemSpider 2D Image | 3-{Isobutyl[(3-methyl-2-thienyl)methyl]amino}-1,2-propanediol | C13H23NO2S

3-{Isobutyl[(3-methyl-2-thienyl)methyl]amino}-1,2-propanediol

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID29660859

More details:

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

1,2-Propanediol, 3-[(2-methylpropyl)[(3-methyl-2-thienyl)methyl]amino]- [ACD/Index Name]
3-{Isobutyl[(3-methyl-2-thienyl)methyl]amino}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{Isobutyl[(3-methyl-2-thienyl)methyl]amino}-1,2-propanediol [ACD/IUPAC Name]
3-{Isobutyl[(3-méthyl-2-thiényl)méthyl]amino}-1,2-propanediol [French] [ACD/IUPAC Name]
3-{isobutyl[(3-methyl-2-thienyl)methyl]amino}propane-1,2-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.5±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 191.2±22.1 °C
Index of Refraction: 1.552
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.45
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 14.27
ACD/KOC (pH 7.4): 206.26
Polar Surface Area: 72 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 230.1±3.0 cm3

Click to predict properties on the Chemicalize site


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