ChemSpider 2D Image | (2R,6S)-1,4-Bis[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperazine | C18H32N8

(2R,6S)-1,4-Bis[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperazine

  • Molecular FormulaC18H32N8
  • Average mass360.500 Da
  • Monoisotopic mass360.274994 Da
  • ChemSpider ID64670495

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,6S)-1,4-Bis[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperazin [German] [ACD/IUPAC Name]
(2R,6S)-1,4-Bis[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperazine [ACD/IUPAC Name]
(2R,6S)-1,4-Bis[(5-éthyl-4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]-2,6-diméthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1,4-bis[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,6-dimethyl-, (2R,6S)- [ACD/Index 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: 562.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 28.21
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 92.76
Polar Surface Area: 68 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 293.6±7.0 cm3

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