ChemSpider 2D Image | 1-{2,6-Bis[4-(trifluoromethyl)phenyl]-4-pyridinyl}-2-(dibutylamino)ethanol | C29H32F6N2O

1-{2,6-Bis[4-(trifluoromethyl)phenyl]-4-pyridinyl}-2-(dibutylamino)ethanol

  • Molecular FormulaC29H32F6N2O
  • Average mass538.568 Da
  • Monoisotopic mass538.241882 Da
  • ChemSpider ID136673

More details:

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

1-{2,6-Bis[4-(trifluormethyl)phenyl]-4-pyridinyl}-2-(dibutylamino)ethanol [German] [ACD/IUPAC Name]
1-{2,6-Bis[4-(trifluoromethyl)phenyl]-4-pyridinyl}-2-(dibutylamino)ethanol [ACD/IUPAC Name]
1-{2,6-Bis[4-(trifluorométhyl)phényl]-4-pyridinyl}-2-(dibutylamino)éthanol [French] [ACD/IUPAC Name]
4-Pyridinemethanol, a-[(dibutylamino)methyl]-2,6-bis[4-(trifluoromethyl)phenyl]-
4-Pyridinemethanol, α-((dibutylamino)methyl)-2,6-bis(4-(trifluoromethyl)phenyl)-
4-Pyridinemethanol, α-[(dibutylamino)methyl]-2,6-bis[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
38492-76-1 [RN]
68686-54-4 [RN]
RTI1190-2-1
RTI1191-1-1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS007978 [DBID]
AIDS-007978 [DBID]
AIDS026568 [DBID]
AIDS-026568 [DBID]
AIDS026572 [DBID]
AIDS-026572 [DBID]
NCI60_002589 [DBID]
NSC305772 [DBID]
WR 148946 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.2±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 416.16
ACD/KOC (pH 5.5): 434.02
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 17410.24
ACD/KOC (pH 7.4): 18157.44
Polar Surface Area: 36 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site


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