ChemSpider 2D Image | 6-(1-Azepanyl)-N-(3,4-difluorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]-1,3,5-triazine-2,4-diamine | C21H26F2N8

6-(1-Azepanyl)-N-(3,4-difluorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC21H26F2N8
  • Average mass428.482 Da
  • Monoisotopic mass428.224854 Da
  • ChemSpider ID124680626

More details:

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

1,3,5-Triazine-2,4-diamine, N2-(3,4-difluorophenyl)-6-(hexahydro-1H-azepin-1-yl)-N4-[3-(1H-imidazol-1-yl)propyl]- [ACD/Index Name]
6-(1-Azepanyl)-N-(3,4-difluorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-(1-Azépanyl)-N-(3,4-difluorophényl)-N'-[3-(1H-imidazol-1-yl)propyl]-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
6-(1-Azepanyl)-N-(3,4-difluorphenyl)-N'-[3-(1H-imidazol-1-yl)propyl]-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: 1.4±0.1 g/cm3
Boiling Point: 651.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 32.42
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 119.30
ACD/KOC (pH 7.4): 988.60
Polar Surface Area: 84 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 312.0±7.0 cm3

Click to predict properties on the Chemicalize site


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