ChemSpider 2D Image | N-[2-(4-Fluorophenyl)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | C18H19FN2O

N-[2-(4-Fluorophenyl)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC18H19FN2O
  • Average mass298.355 Da
  • Monoisotopic mass298.148132 Da
  • ChemSpider ID22764065

More details:

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

3-Isoquinolinecarboxamide, N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydro- [ACD/Index Name]
N-[2-(4-Fluorophényl)éthyl]-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(4-Fluorophenyl)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
N-[2-(4-Fluorphenyl)ethyl]-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
1105059-12-8 [RN]
MFCD09935805 [MDL number]
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 17.32
ACD/KOC (pH 7.4): 195.96
Polar Surface Area: 41 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


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