ChemSpider 2D Image | 1-[(1-{[1-(2-Pyrazinyl)-3-piperidinyl]methyl}-1,2,3-triazolidin-4-yl)methyl]-1,4-diazepane | C18H32N8

1-[(1-{[1-(2-Pyrazinyl)-3-piperidinyl]methyl}-1,2,3-triazolidin-4-yl)methyl]-1,4-diazepane

  • Molecular FormulaC18H32N8
  • Average mass360.500 Da
  • Monoisotopic mass360.274994 Da
  • ChemSpider ID110294389

More details:

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

1-[(1-{[1-(2-Pyrazinyl)-3-piperidinyl]methyl}-1,2,3-triazolidin-4-yl)methyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(1-{[1-(2-Pyrazinyl)-3-piperidinyl]methyl}-1,2,3-triazolidin-4-yl)methyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(1-{[1-(2-Pyrazinyl)-3-pipéridinyl]méthyl}-1,2,3-triazolidin-4-yl)méthyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-[[1-[[1-(2-pyrazinyl)-3-piperidinyl]methyl]-1,2,3-triazolidin-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site


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