ChemSpider 2D Image | Ethyl (2E)-3-{[3-chloro-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}-2-butenoate | C17H24ClNO3

Ethyl (2E)-3-{[3-chloro-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}-2-butenoate

  • Molecular FormulaC17H24ClNO3
  • Average mass325.830 Da
  • Monoisotopic mass325.144470 Da
  • ChemSpider ID115296674

More details:

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

(2E)-3-{[3-Chloro-2-hydroxy-5-(2-méthyl-2-propanyl)benzyl]amino}-2-buténoate d'éthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-[[[3-chloro-5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]amino]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-{[3-chloro-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}-2-butenoate [ACD/IUPAC Name]
Ethyl-(2E)-3-{[3-chlor-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 212.6±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 720.11
ACD/KOC (pH 5.5): 3850.40
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 658.95
ACD/KOC (pH 7.4): 3523.33
Polar Surface Area: 59 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 287.6±3.0 cm3

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