ChemSpider 2D Image | [3H]-astemizole | C28H28T3FN4O

[3H]-astemizole

  • Molecular FormulaC28H28T3FN4O
  • Average mass464.595 Da
  • Monoisotopic mass464.272858 Da
  • ChemSpider ID26341173

  • Non-standard isotope - Non-standard isotope

More details:

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

[3H]-astemizole
1-(4-Fluorbenzyl)-N-[1-(2-{4-[(3H3)methyloxy]phenyl}ethyl)-4-piperidinyl]-1H-benzimidazol-2-amin [German] [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-N-[1-(2-{4-[(3H3)methyloxy]phenyl}ethyl)-4-piperidinyl]-1H-benzimidazol-2-amine [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-N-[1-(2-{4-[(3H3)méthyloxy]phényl}éthyl)-4-pipéridinyl]-1H-benzimidazol-2-amine [French] [ACD/IUPAC Name]
1H-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-N-[1-[2-[4-(methyl-t3-oxy)phenyl]ethyl]-4-piperidinyl]- [ACD/Index Name]

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

Density:
Boiling Point: 627.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 11.72
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 458.31
ACD/KOC (pH 7.4): 1122.13
Polar Surface Area: 42 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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