ChemSpider 2D Image | Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate | C34H42N2O4

Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate

  • Molecular FormulaC34H42N2O4
  • Average mass542.708 Da
  • Monoisotopic mass542.314453 Da
  • ChemSpider ID391298

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(1S,4S)-1-Phényl-1,2,3,4-tétrahydro-1,4-naphtalènedicarboxylate de bis(8-méthyl-8-azabicyclo[3.2.1]oct-3-yle) [French] [ACD/IUPAC Name]
1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, (1S,4S)- [ACD/Index Name]
Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate [ACD/IUPAC Name]
Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-(1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalindicarboxylat [German] [ACD/IUPAC Name]
510-25-8 [RN]
belladonnine
bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1S,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate

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

C10845 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 59 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 435.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement