ChemSpider 2D Image | 2,2-Diphenyl-5-{4-[(Z)-(3-pyridinylmethylene)amino]-1-piperazinyl}pentanenitrile | C27H29N5

2,2-Diphenyl-5-{4-[(Z)-(3-pyridinylmethylene)amino]-1-piperazinyl}pentanenitrile

  • Molecular FormulaC27H29N5
  • Average mass423.553 Da
  • Monoisotopic mass423.242310 Da
  • ChemSpider ID28542250
  • Double-bond stereo - Double-bond stereo


More details:






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

1-Piperazinepentanenitrile, α,α-diphenyl-4-[[(1Z)-3-pyridinylmethylene]amino]- [ACD/Index Name]
2,2-Diphenyl-5-{4-[(Z)-(3-pyridinylmethylen)amino]-1-piperazinyl}pentannitril [German] [ACD/IUPAC Name]
2,2-Diphenyl-5-{4-[(Z)-(3-pyridinylmethylene)amino]-1-piperazinyl}pentanenitrile [ACD/IUPAC Name]
2,2-Diphényl-5-{4-[(Z)-(3-pyridinylméthylène)amino]-1-pipérazinyl}pentanenitrile [French] [ACD/IUPAC Name]
218136-59-5 [RN]
SC 26196

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 650.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.0±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 133.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 11.40
ACD/KOC (pH 5.5): 55.85
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 464.42
ACD/KOC (pH 7.4): 2275.97
Polar Surface Area: 56 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 386.0±7.0 cm3

Click to predict properties on the Chemicalize site






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