ChemSpider 2D Image | N-(4-Butylphenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-N'-(3-pyridinylmethyl)-1,3,5-triazine-2,4-diamine | C29H33FN8

N-(4-Butylphenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-N'-(3-pyridinylmethyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC29H33FN8
  • Average mass512.624 Da
  • Monoisotopic mass512.281250 Da
  • ChemSpider ID124483238

More details:

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

1,3,5-Triazine-2,4-diamine, N2-(4-butylphenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-N4-(3-pyridinylmethyl)- [ACD/Index Name]
N-(4-Butylphenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-N'-(3-pyridinylmethyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-(4-Butylphényl)-6-[4-(2-fluorophényl)-1-pipérazinyl]-N'-(3-pyridinylméthyl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
N-(4-Butylphenyl)-6-[4-(2-fluorphenyl)-1-piperazinyl]-N'-(3-pyridinylmethyl)-1,3,5-triazin-2,4-diamin [German] [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: 714.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 978.55
ACD/KOC (pH 5.5): 3591.26
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2683.34
ACD/KOC (pH 7.4): 9847.80
Polar Surface Area: 82 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 406.1±3.0 cm3

Click to predict properties on the Chemicalize site


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