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Search term: BAQHZTYHDQQGIR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-(2,2-Dimethylpropyl)-3-(trifluoromethyl)aniline | C12H16F3N

N-(2,2-Dimethylpropyl)-3-(trifluoromethyl)aniline

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID21330252

More details:






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

Benzenamine, N-(2,2-dimethylpropyl)-3-(trifluoromethyl)- [ACD/Index Name]
N-(2,2-Dimethylpropyl)-3-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
N-(2,2-Dimethylpropyl)-3-(trifluoromethyl)aniline [ACD/IUPAC Name]
N-(2,2-Diméthylpropyl)-3-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
(2,2-DIMETHYL-PROPYL)-(3-TRIFLUOROMETHYL-PHENYL)-AMINE
[887590-46-7]
7689-63-6 [RN]
887590-46-7 [RN]
BENZENAMINE,N-(2,2-DIMETHYLPROPYL)-3-(TRIFLUOROMETHYL)-
MFCD07787000 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 261.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 111.7±27.3 °C
Index of Refraction: 1.481
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1167.97
ACD/KOC (pH 5.5): 5454.48
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1172.79
ACD/KOC (pH 7.4): 5476.96
Polar Surface Area: 12 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 27.5±3.0 dyne/cm
Molar Volume: 208.5±3.0 cm3

Click to predict properties on the Chemicalize site






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