ChemSpider 2D Image | Bunamiodyl | C15H16I3NO3

Bunamiodyl

  • Molecular FormulaC15H16I3NO3
  • Average mass639.006 Da
  • Monoisotopic mass638.826416 Da
  • ChemSpider ID4941281
  • Double-bond stereo - Double-bond stereo


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Featured data source



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

(2E)-2-[3-(Butyrylamino)-2,4,6-triiodbenzyliden]butansäure [German] [ACD/IUPAC Name]
(2E)-2-[3-(Butyrylamino)-2,4,6-triiodobenzylidene]butanoic acid [ACD/IUPAC Name]
1233-53-0 [RN]
2-((2,4,6-Triiodo-3-((1-oxobutyl)amino)phenyl)methylene)butanoic Acid
Acide (2E)-2-[3-(butyrylamino)-2,4,6-triiodobenzylidène]butanoïque [French] [ACD/IUPAC Name]
Bunamiodyl
Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, (2E)- [ACD/Index Name]
(2E)-2-[(3-butanamido-2,4,6-triiodophenyl)methylidene]butanoic acid
2-(3-Butyramido-3,4,6-triiodophenylmethylene)butyric acid
2-(3-Butyramido-3,4,6-triiodophenylmethylene)butyric acid; Bunamiodilo; Bunamiodylum
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.6±31.5 °C
Index of Refraction: 1.724
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 123.99
ACD/KOC (pH 5.5): 518.86
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 8.30
Polar Surface Area: 66 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

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