ChemSpider 2D Image | (2S)-4-(4-Morpholinyl)-2-butanyl 4-phenyltetrahydro-2H-pyran-4-carboxylate | C20H29NO4

(2S)-4-(4-Morpholinyl)-2-butanyl 4-phenyltetrahydro-2H-pyran-4-carboxylate

  • Molecular FormulaC20H29NO4
  • Average mass347.449 Da
  • Monoisotopic mass347.209656 Da
  • ChemSpider ID34992646

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(4-Morpholinyl)-2-butanyl 4-phenyltetrahydro-2H-pyran-4-carboxylate [ACD/IUPAC Name]
(2S)-4-(4-Morpholinyl)-2-butanyl-4-phenyltetrahydro-2H-pyran-4-carboxylat [German] [ACD/IUPAC Name]
2H-Pyran-4-carboxylic acid, tetrahydro-4-phenyl-, (1S)-1-methyl-3-(4-morpholinyl)propyl ester [ACD/Index Name]
4-Phényltétrahydro-2H-pyrane-4-carboxylate de (2S)-4-(4-morpholinyl)-2-butanyle [French] [ACD/IUPAC Name]
23271-74-1 [RN]
245-545-7 [EINECS]
fedrilate
UNII-NT86R8M7J5

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

QV7827A8ZQ [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 25.42
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 65.96
ACD/KOC (pH 7.4): 627.93
Polar Surface Area: 48 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

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