ChemSpider 2D Image | (2E)-3-[2-(Benzyloxy)-5-{2-[(2-ethylphenyl)(methyl)amino]-2-oxoethyl}phenyl]acrylic acid | C27H27NO4

(2E)-3-[2-(Benzyloxy)-5-{2-[(2-ethylphenyl)(methyl)amino]-2-oxoethyl}phenyl]acrylic acid

  • Molecular FormulaC27H27NO4
  • Average mass429.508 Da
  • Monoisotopic mass429.194000 Da
  • ChemSpider ID28587677
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-[2-(Benzyloxy)-5-{2-[(2-ethylphenyl)(methyl)amino]-2-oxoethyl}phenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[2-(Benzyloxy)-5-{2-[(2-ethylphenyl)(methyl)amino]-2-oxoethyl}phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-[2-[(2-ethylphenyl)methylamino]-2-oxoethyl]-2-(phenylmethoxy)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[2-(benzyloxy)-5-{2-[(2-éthylphényl)(méthyl)amino]-2-oxoéthyl}phényl]acrylique [French] [ACD/IUPAC Name]
181268-76-8 [RN]
2-BUTENOIC ACID,3-[3-[2-[METHYL(2-PHENYLETHYL)AMINO]-2-OXOETHYL]-5-(PHENYLMETHOXY)PHENYL]-,(Z)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 94.81
ACD/KOC (pH 5.5): 435.19
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 6.93
Polar Surface Area: 67 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 354.9±3.0 cm3

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