ChemSpider 2D Image | Ethyl (3R,4R)-1,3-dimethyl-4-phenyl-4-azepanecarboxylate | C17H25NO2

Ethyl (3R,4R)-1,3-dimethyl-4-phenyl-4-azepanecarboxylate

  • Molecular FormulaC17H25NO2
  • Average mass275.386 Da
  • Monoisotopic mass275.188538 Da
  • ChemSpider ID32798054

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1,3-Diméthyl-4-phényl-4-azépanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Azepine-4-carboxylic acid, hexahydro-1,3-dimethyl-4-phenyl-, ethyl ester, (3R,4R)- [ACD/Index Name]
Ethyl (3R,4R)-1,3-dimethyl-4-phenyl-4-azepanecarboxylate [ACD/IUPAC Name]
Ethyl-(3R,4R)-1,3-dimethyl-4-phenyl-4-azepancarboxylat [German] [ACD/IUPAC Name]
509-84-2 [RN]
Metethoheptazine [INN]
UNII-S36J5ZY2TH

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

Density: 1.0±0.1 g/cm3
Boiling Point: 355.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 112.8±18.8 °C
Index of Refraction: 1.504
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 6.45
ACD/KOC (pH 7.4): 50.30
Polar Surface Area: 30 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 272.0±3.0 cm3

Click to predict properties on the Chemicalize site


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