ChemSpider 2D Image | 2-[4-(1,3-Benzodioxol-5-ylmethyl)(~2~H_8_)-1-piperazinyl]pyrimidine | C16H10D8N4O2

2-[4-(1,3-Benzodioxol-5-ylmethyl)(2H8)-1-piperazinyl]pyrimidine

  • Molecular FormulaC16H10D8N4O2
  • Average mass306.389 Da
  • Monoisotopic mass306.193176 Da
  • ChemSpider ID38772356

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-(1,3-Benzodioxol-5-ylmethyl)(2H8)-1-piperazinyl]pyrimidin [German] [ACD/IUPAC Name]
2-[4-(1,3-Benzodioxol-5-ylmethyl)(2H8)-1-piperazinyl]pyrimidine [ACD/IUPAC Name]
2-[4-(1,3-Benzodioxol-5-ylméthyl)(2H8)-1-pipérazinyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]- [ACD/Index Name]
1-(1,3-benzodioxol-5-ylmethyl)-2,2,3,3,5,5,6,6-octadeuterio-4-pyrimidin-2-ylpiperazine
1398044-45-5 [RN]
ET-495 D8
MFCD00868264 [MDL number]
MFCD28900715
Piribedil D8
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 469.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 69.41
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.84
ACD/KOC (pH 7.4): 292.06
Polar Surface Area: 51 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site


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