ChemSpider 2D Image | 4-[(1E)-1-{4-[2-(Methylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenyl hydrogen sulfate | C25H27NO5S

4-[(1E)-1-{4-[2-(Methylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenyl hydrogen sulfate

  • Molecular FormulaC25H27NO5S
  • Average mass453.551 Da
  • Monoisotopic mass453.160980 Da
  • ChemSpider ID30778636

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(1E)-1-{4-[2-(Methylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenyl hydrogen sulfate [ACD/IUPAC Name]
4-[(1E)-1-{4-[2-(Methylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 4-[(1E)-1-{4-[2-(méthylamino)éthoxy]phényl}-2-phényl-1-butén-1-yl]phényle [French] [ACD/IUPAC Name]
Phenol, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-, hydrogen sulfate (ester) [ACD/Index Name]
{4-[(1E)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenyl}oxidanesulfonic acid
Endoxifen sulfate

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

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 9.13
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 9.05
Polar Surface Area: 93 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 367.3±3.0 cm3

Click to predict properties on the Chemicalize site


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