ChemSpider 2D Image | 3-({4-[(E)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-1-hydroxy-2,4-dimethylpyridinium | C28H38BrN4O3

3-({4-[(E)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-1-hydroxy-2,4-dimethylpyridinium

  • Molecular FormulaC28H38BrN4O3
  • Average mass558.530 Da
  • Monoisotopic mass557.212158 Da
  • ChemSpider ID8615434

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

3-({4-[(E)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-1-hydroxy-2,4-dimethylpyridinium [ACD/IUPAC Name]
3-({4-[(E)-(4-Bromophényl)(éthoxyimino)méthyl]-4'-méthyl-1,4'-bipipéridin-1'-yl}carbonyl)-1-hydroxy-2,4-diméthylpyridinium [French] [ACD/IUPAC Name]
3-({4-[(E)-(4-Bromphenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-1-hydroxy-2,4-dimethylpyridinium [German] [ACD/IUPAC Name]
Pyridinium, 3-[[4-[(E)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-1-hydroxy-2,4-dimethyl- [ACD/Index Name]

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

Density:
Boiling Point: 700.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 7.81
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 56.12
ACD/KOC (pH 7.4): 398.46
Polar Surface Area: 69 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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