ChemSpider 2D Image | Diethyl 3,3'-(1,4-piperazinediyl)bis[3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate] | C30H32N4O8

Diethyl 3,3'-(1,4-piperazinediyl)bis[3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate]

  • Molecular FormulaC30H32N4O8
  • Average mass576.597 Da
  • Monoisotopic mass576.221985 Da
  • ChemSpider ID226622

More details:

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

1,4-Piperazinedipropanoic acid, β,β'-bis(1,3-benzodioxol-5-yl)-α,α'-dicyano-, diethyl ester [ACD/Index Name]
3,3'-(1,4-Pipérazinediyl)bis[3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate] de diéthyle [French] [ACD/IUPAC Name]
Diethyl 3,3'-(1,4-piperazinediyl)bis[3-(1,3-benzodioxol-5-yl)-2-cyanopropanoate] [ACD/IUPAC Name]
Diethyl-3,3'-(1,4-piperazindiyl)bis[3-(1,3-benzodioxol-5-yl)-2-cyanpropanoat] [German] [ACD/IUPAC Name]

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

NSC87052 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.3±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 144 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 428.6±3.0 cm3

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