ChemSpider 2D Image | N,N'-Bis(3-methylbutyl)-2-{4-[4-(2-methyl-2-propanyl)phenoxy]-3-nitrobenzylidene}malonamide | C30H41N3O5

N,N'-Bis(3-methylbutyl)-2-{4-[4-(2-methyl-2-propanyl)phenoxy]-3-nitrobenzylidene}malonamide

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID3164697

More details:






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

N,N'-Bis(3-methylbutyl)-2-{4-[4-(2-methyl-2-propanyl)phenoxy]-3-nitrobenzyliden}malonamid [German] [ACD/IUPAC Name]
N,N'-Bis(3-methylbutyl)-2-{4-[4-(2-methyl-2-propanyl)phenoxy]-3-nitrobenzylidene}malonamide [ACD/IUPAC Name]
N,N'-Bis(3-méthylbutyl)-2-{4-[4-(2-méthyl-2-propanyl)phénoxy]-3-nitrobenzylidène}malonamide [French] [ACD/IUPAC Name]
Propanediamide, 2-[[4-[4-(1,1-dimethylethyl)phenoxy]-3-nitrophenyl]methylene]-N1,N3-bis(3-methylbutyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11699.04
ACD/KOC (pH 5.5): 28416.49
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11698.89
ACD/KOC (pH 7.4): 28416.14
Polar Surface Area: 113 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 473.5±3.0 cm3

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