ChemSpider 2D Image | N-[2-(2-sec-Butylphenoxy)propyl]-3,5-dimethylaniline | C21H29NO

N-[2-(2-sec-Butylphenoxy)propyl]-3,5-dimethylaniline

  • Molecular FormulaC21H29NO
  • Average mass311.461 Da
  • Monoisotopic mass311.224915 Da
  • ChemSpider ID21330363

More details:

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

1040687-05-5 [RN]
3,5-dimethyl-N-{2-[2-(sec-butyl)phenoxy]propyl}aniline
Benzenamine, 3,5-dimethyl-N-[2-[2-(1-methylpropyl)phenoxy]propyl]- [ACD/Index Name]
N-[2-(2-sec-Butylphenoxy)propyl]-3,5-dimethylanilin [German] [ACD/IUPAC Name]
N-[2-(2-sec-Butylphenoxy)propyl]-3,5-dimethylaniline [ACD/IUPAC Name]
N-[2-(2-sec-Butylphénoxy)propyl]-3,5-diméthylaniline [French] [ACD/IUPAC Name]
N-{2-[2-(butan-2-yl)phenoxy]propyl}-3,5-dimethylaniline
MFCD10687602 [MDL number]
N-(2-(2-(sec-butyl)phenoxy)propyl)-3,5-dimethylaniline
N-[2-(2-butan-2-ylphenoxy)propyl]-3,5-dimethylaniline
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 458.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 198.6±18.2 °C
Index of Refraction: 1.557
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18202.41
ACD/KOC (pH 5.5): 37981.71
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19941.40
ACD/KOC (pH 7.4): 41610.33
Polar Surface Area: 21 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

Click to predict properties on the Chemicalize site


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