ChemSpider 2D Image | 1,1',1''-(Nitrilotri-2,1-ethanediyl)tris[3-(4-cyanophenyl)urea] | C30H30N10O3

1,1',1''-(Nitrilotri-2,1-ethanediyl)tris[3-(4-cyanophenyl)urea]

  • Molecular FormulaC30H30N10O3
  • Average mass578.624 Da
  • Monoisotopic mass578.250244 Da
  • ChemSpider ID30653496

More details:

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

1,1',1''-(Nitrilotri-2,1-ethandiyl)tris[3-(4-cyanphenyl)harnstoff] [German] [ACD/IUPAC Name]
1,1',1''-(Nitrilotri-2,1-ethanediyl)tris[3-(4-cyanophenyl)urea] [ACD/IUPAC Name]
1,1',1''-(Nitrilotri-2,1-éthanediyl)tris[3-(4-cyanophényl)urée] [French] [ACD/IUPAC Name]
Urea, N,N'',N''''-(nitrilotri-2,1-ethanediyl)tris[N'-(4-cyanophenyl)- [ACD/Index Name]
1-{2-[bis(2-{[(4-cyanophenyl)carbamoyl]amino}ethyl)amino]ethyl}-3-(4-cyanophenyl)urea
1313729-43-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 793.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.45
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 6.10
ACD/KOC (pH 7.4): 69.93
Polar Surface Area: 198 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 425.1±5.0 cm3

Click to predict properties on the Chemicalize site


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