ChemSpider 2D Image | 6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4,4-diethoxybutyl)-5-nitro-4-pyrimidinamine | C24H34N6O6

6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4,4-diethoxybutyl)-5-nitro-4-pyrimidinamine

  • Molecular FormulaC24H34N6O6
  • Average mass502.563 Da
  • Monoisotopic mass502.253998 Da
  • ChemSpider ID3089952

More details:

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

4-Pyrimidinamine, 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4,4-diethoxybutyl)-5-nitro- [ACD/Index Name]
6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4,4-diethoxybutyl)-5-nitro-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4,4-diethoxybutyl)-5-nitro-4-pyrimidinamine [ACD/IUPAC Name]
6-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-N-(4,4-diéthoxybutyl)-5-nitro-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.1±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 931.57
ACD/KOC (pH 5.5): 3648.31
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2143.23
ACD/KOC (pH 7.4): 8393.54
Polar Surface Area: 127 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 388.6±3.0 cm3

Click to predict properties on the Chemicalize site


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