ChemSpider 2D Image | N,N'-[(2-Hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene)]bis[2-(butylamino)acetamide] | C27H40N4O5

N,N'-[(2-Hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene)]bis[2-(butylamino)acetamide]

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID2336665

More details:

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

Acetamide, N,N'-[(2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene)]bis[2-(butylamino)- [ACD/Index Name]
N,N'-[(2-Hydroxy-1,3-propandiyl)bis(oxy-2,1-phenylen)]bis[2-(butylamino)acetamid] [German] [ACD/IUPAC Name]
N,N'-[(2-Hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene)]bis[2-(butylamino)acetamide] [ACD/IUPAC Name]
N,N'-[(2-Hydroxy-1,3-propanediyl)bis(oxy-2,1-phénylène)]bis[2-(butylamino)acétamide] [French] [ACD/IUPAC Name]
118737-69-2 [RN]
2-(BUTYLAMINO)-N-[2-(3-{2-[2-(BUTYLAMINO)ACETAMIDO]PHENOXY}-2-HYDROXYPROPOXY)PHENYL]ACETAMIDE
Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-(butylamino)-
N,N'-((2-Hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-(butylamino)acetamide)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 46.81
Polar Surface Area: 121 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 428.6±3.0 cm3

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