ChemSpider 2D Image | 3,3'-(1,3-Phenylenedi-1,3-oxazole-5,2-diyl)bis{N-[2-(1-pyrrolidinyl)ethyl]aniline} | C36H40N6O2

3,3'-(1,3-Phenylenedi-1,3-oxazole-5,2-diyl)bis{N-[2-(1-pyrrolidinyl)ethyl]aniline}

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID30836943

More details:

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

1-Pyrrolidineethanamine, N,N'-[1,3-phenylenebis(5,2-oxazolediyl-3,1-phenylene)]bis- [ACD/Index Name]
3,3'-(1,3-Phenylendi-1,3-oxazol-5,2-diyl)bis{N-[2-(1-pyrrolidinyl)ethyl]anilin} [German] [ACD/IUPAC Name]
3,3'-(1,3-Phenylenedi-1,3-oxazole-5,2-diyl)bis{N-[2-(1-pyrrolidinyl)ethyl]aniline} [ACD/IUPAC Name]
3,3'-(1,3-Phénylènedi-1,3-oxazole-5,2-diyl)bis{N-[2-(1-pyrrolidinyl)éthyl]aniline} [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 824.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.3±37.1 °C
Index of Refraction: 1.634
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 3.16
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 3.62
Polar Surface Area: 83 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 486.1±3.0 cm3

Click to predict properties on the Chemicalize site


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