ChemSpider 2D Image | (cis)-tilidine | C17H23NO2

(cis)-tilidine

  • Molecular FormulaC17H23NO2
  • Average mass273.370 Da
  • Monoisotopic mass273.172882 Da
  • ChemSpider ID32700530

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(Diméthylamino)-1-phényl-3-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
(cis)-tilidine
20380-56-7 [RN]
3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, (1S,2S)- [ACD/Index Name]
Ethyl (1S,2S)-2-(dimethylamino)-1-phenyl-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,2S)-2-(dimethylamino)-1-phenyl-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
rel-Ethyl (1R,2R)-2-(dimethylamino)-1-phenyl-3-cyclohexene-1-carboxylate
TILIDINE, (CIS)-

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

NL0SOV5895 [DBID]
UNII:NL0SOV5895 [DBID]
UNII-NL0SOV5895 [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: 354.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 114.0±18.8 °C
Index of Refraction: 1.548
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 12.32
ACD/KOC (pH 7.4): 115.76
Polar Surface Area: 30 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

Click to predict properties on the Chemicalize site


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