ChemSpider 2D Image | N~1~-{6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}-N~4~,N~4~-diethyl-2-methyl-1,4-benzenediamine | C26H38N8

N1-{6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}-N4,N4-diethyl-2-methyl-1,4-benzenediamine

  • Molecular FormulaC26H38N8
  • Average mass462.634 Da
  • Monoisotopic mass462.321930 Da
  • ChemSpider ID121416522

More details:

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

1,4-Benzenediamine, N1-[6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl]-N4,N4-diethyl-2-methyl- [ACD/Index Name]
N1-{6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}-N4,N4-diethyl-2-methyl-1,4-benzenediamine [ACD/IUPAC Name]
N1-{6-[4-(1,5-Diméthyl-1H-1,2,4-triazol-3-yl)-1-pipéridinyl]-2-éthyl-4-pyrimidinyl}-N4,N4-diéthyl-2-méthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N1-{6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}-N4,N4-diethyl-2-methyl-1,4-benzoldiamin [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 13.08
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 746.07
ACD/KOC (pH 7.4): 2575.21
Polar Surface Area: 75 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 387.4±7.0 cm3

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