ChemSpider 2D Image | N-[2-(4-Chlorophenyl)ethyl]-3-(heptyloxy)aniline | C21H28ClNO

N-[2-(4-Chlorophenyl)ethyl]-3-(heptyloxy)aniline

  • Molecular FormulaC21H28ClNO
  • Average mass345.906 Da
  • Monoisotopic mass345.185944 Da
  • ChemSpider ID21331001

More details:

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

1040680-09-8 [RN]
Benzeneethanamine, 4-chloro-N-[3-(heptyloxy)phenyl]- [ACD/Index Name]
N-[2-(4-Chlorophenyl)ethyl]-3-(heptyloxy)aniline [ACD/IUPAC Name]
N-[2-(4-Chlorophényl)éthyl]-3-(heptyloxy)aniline [French] [ACD/IUPAC Name]
N-[2-(4-Chlorphenyl)ethyl]-3-(heptyloxy)anilin [German] [ACD/IUPAC Name]
MFCD10688234 [MDL number]
N-(4-Chlorophenethyl)-3-(heptyloxy)aniline
N-[2-(4-chlorophenyl)ethyl]-3-heptoxyaniline

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.6±25.9 °C
Index of Refraction: 1.563
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 227806.88
ACD/KOC (pH 5.5): 232398.27
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 247339.44
ACD/KOC (pH 7.4): 252324.50
Polar Surface Area: 21 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site


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