ChemSpider 2D Image | 9M363FGA7J | C21H31NO2

9M363FGA7J

  • Molecular FormulaC21H31NO2
  • Average mass329.476 Da
  • Monoisotopic mass329.235474 Da
  • ChemSpider ID28529148

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4R)-2-Phénylbicyclo[2.2.1]heptane-2-carboxylate de 3-(diéthylamino)propyle [French] [ACD/IUPAC Name]
20448-86-6 [RN]
3-(Diethylamino)propyl (1S,4R)-2-phenylbicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
3-(Diethylamino)propyl-(1S,4R)-2-phenylbicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
9M363FGA7J
Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-phenyl-, 3-(diethylamino)propyl ester, (1S,4R)- [ACD/Index Name]
bornaprine
UNII:9M363FGA7J

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

3897 [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: 434.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 131.4±17.6 °C
Index of Refraction: 1.536
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 5.25
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.40
ACD/KOC (pH 7.4): 19.34
Polar Surface Area: 30 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


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