ChemSpider 2D Image | (2R)-2-{[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)ethyl](methyl)amino}-1-phenyl-1-propanol | C27H29NO

(2R)-2-{[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)ethyl](methyl)amino}-1-phenyl-1-propanol

  • Molecular FormulaC27H29NO
  • Average mass383.525 Da
  • Monoisotopic mass383.224915 Da
  • ChemSpider ID88298641

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-{[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yliden)ethyl](methyl)amino}-1-phenyl-1-propanol [German] [ACD/IUPAC Name]
(2R)-2-{[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)ethyl](methyl)amino}-1-phenyl-1-propanol [ACD/IUPAC Name]
(2R)-2-{[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulén-5-ylidène)éthyl](méthyl)amino}-1-phényl-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-[[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)ethyl]methylamino]ethyl]- [ACD/Index Name]
90845-56-0 [RN]
Trecadrine [INN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 220.5±23.4 °C
Index of Refraction: 1.653
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 212.64
ACD/KOC (pH 5.5): 448.06
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 8708.57
ACD/KOC (pH 7.4): 18350.32
Polar Surface Area: 23 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 333.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement