ChemSpider 2D Image | 1-{4-[3-(Diphenylmethylene)-2,5-dioxo-1-pyrrolidinyl]butyl}-4-(4-nitrophenyl)piperazin-1-ium | C31H33N4O4

1-{4-[3-(Diphenylmethylene)-2,5-dioxo-1-pyrrolidinyl]butyl}-4-(4-nitrophenyl)piperazin-1-ium

  • Molecular FormulaC31H33N4O4
  • Average mass525.618 Da
  • Monoisotopic mass525.249634 Da
  • ChemSpider ID7792589

  • Charge - Charge

More details:

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

1-{4-[3-(Diphenylmethylen)-2,5-dioxo-1-pyrrolidinyl]butyl}-4-(4-nitrophenyl)piperazin-1-ium [German] [ACD/IUPAC Name]
1-{4-[3-(Diphenylmethylene)-2,5-dioxo-1-pyrrolidinyl]butyl}-4-(4-nitrophenyl)piperazin-1-ium [ACD/IUPAC Name]
1-{4-[3-(Diphénylméthylène)-2,5-dioxo-1-pyrrolidinyl]butyl}-4-(4-nitrophényl)pipérazin-1-ium [French] [ACD/IUPAC Name]
Piperazinium, 1-[4-[3-(diphenylmethylene)-2,5-dioxo-1-pyrrolidinyl]butyl]-4-(4-nitrophenyl)- [ACD/Index Name]

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

ZINC08399019 [DBID]

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

Density:
Boiling Point: 711.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.2±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 216.78
ACD/KOC (pH 5.5): 527.60
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 6872.11
ACD/KOC (pH 7.4): 16725.02
Polar Surface Area: 91 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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