ChemSpider 2D Image | 2-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}benzoic acid | C21H27NO3

2-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}benzoic acid

  • Molecular FormulaC21H27NO3
  • Average mass341.444 Da
  • Monoisotopic mass341.199097 Da
  • ChemSpider ID28534746

More details:






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

2-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[2-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]amino]- [ACD/Index Name]
[953018-05-8]
2-((3,5-Di-tert-butyl-2-hydroxyphenyl)amino)benzoic acid
2-((3,5-Di-tert-butyl-2-hydroxyphenyl)amino)benzoicacid
2-(3,5-Di-tert-butyl-2-hydroxyanilino)benzoic acid
953018-05-8 [RN]
MFCD23135307

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.6±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 1717.10
ACD/KOC (pH 5.5): 2583.67
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 66.28
ACD/KOC (pH 7.4): 99.73
Polar Surface Area: 70 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 299.8±3.0 cm3

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