ChemSpider 2D Image | N-(4-Chlorobenzyl)-N'-(4-methoxy-2-methylphenyl)-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine-2,4-diamine | C28H30ClN7O

N-(4-Chlorobenzyl)-N'-(4-methoxy-2-methylphenyl)-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID124696624

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[(4-chlorophenyl)methyl]-N4-(4-methoxy-2-methylphenyl)-6-(4-phenyl-1-piperazinyl)- [ACD/Index Name]
N-(4-Chlorbenzyl)-N'-(4-methoxy-2-methylphenyl)-6-(4-phenyl-1-piperazinyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-N'-(4-methoxy-2-methylphenyl)-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-N'-(4-méthoxy-2-méthylphényl)-6-(4-phényl-1-pipérazinyl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 710.36
ACD/KOC (pH 5.5): 2503.81
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3028.34
ACD/KOC (pH 7.4): 10674.01
Polar Surface Area: 78 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 395.0±3.0 cm3

Click to predict properties on the Chemicalize site


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