ChemSpider 2D Image | Ethyl (3S)-3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoate | C18H27NO4

Ethyl (3S)-3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoate

  • Molecular FormulaC18H27NO4
  • Average mass321.411 Da
  • Monoisotopic mass321.194000 Da
  • ChemSpider ID114100699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[Benzyl(3-éthoxy-3-oxopropyl)amino]butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-[(3-ethoxy-3-oxopropyl)(phenylmethyl)amino]-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoat [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: 410.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 201.9±25.9 °C
Index of Refraction: 1.504
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 6.46
ACD/KOC (pH 5.5): 48.31
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 155.78
ACD/KOC (pH 7.4): 1165.37
Polar Surface Area: 56 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 301.9±3.0 cm3

Click to predict properties on the Chemicalize site


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