ChemSpider 2D Image | Ethyl (4S)-1-methyl-4-phenyl-4-azepanecarboxylate | C16H23NO2

Ethyl (4S)-1-methyl-4-phenyl-4-azepanecarboxylate

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID32809727
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-1-Méthyl-4-phényl-4-azépanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, (4S)- [ACD/Index Name]
Ethyl (4S)-1-methyl-4-phenyl-4-azepanecarboxylate [ACD/IUPAC Name]
Ethyl-(4S)-1-methyl-4-phenyl-4-azepancarboxylat [German] [ACD/IUPAC Name]
201-007-3 [EINECS]
77-15-6 [RN]
ethoheptazine [INN] [Wiki]
UNII-3A4G3A848U

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 114.4±18.8 °C
Index of Refraction: 1.514
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 36.07
Polar Surface Area: 30 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site






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