ChemSpider 2D Image | Methyl (2S,4S)-1,2-dimethyl-4-phenyl-4-azepanecarboxylate | C16H23NO2

Methyl (2S,4S)-1,2-dimethyl-4-phenyl-4-azepanecarboxylate

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID34988259

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-1,2-Diméthyl-4-phényl-4-azépanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Azepine-4-carboxylic acid, hexahydro-1,2-dimethyl-4-phenyl-, methyl ester, (2S,4S)- [ACD/Index Name]
Methyl (2S,4S)-1,2-dimethyl-4-phenyl-4-azepanecarboxylate [ACD/IUPAC Name]
Methyl-(2S,4S)-1,2-dimethyl-4-phenyl-4-azepancarboxylat [German] [ACD/IUPAC Name]
469-78-3 [RN]
Metheptazine [INN]
UNII-93X4R66P5A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 340.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 111.2±18.8 °C
Index of Refraction: 1.506
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 39.81
Polar Surface Area: 30 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 255.5±3.0 cm3

Click to predict properties on the Chemicalize site


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