ChemSpider 2D Image | Diethyl 2,2'-(6-methoxy-4,4,5',5'-tetramethyl-4,5-dihydro-2'H-spiro[3-benzazepine-7,3'-pyrrolidine]-2,2'(3H)-diylidene)diacetate | C26H36N2O5

Diethyl 2,2'-(6-methoxy-4,4,5',5'-tetramethyl-4,5-dihydro-2'H-spiro[3-benzazepine-7,3'-pyrrolidine]-2,2'(3H)-diylidene)diacetate

  • Molecular FormulaC26H36N2O5
  • Average mass456.574 Da
  • Monoisotopic mass456.262421 Da
  • ChemSpider ID35386603

More details:

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

2,2'-(6-Méthoxy-4,4,5',5'-tétraméthyl-4,5-dihydro-2'H-spiro[3-benzazepine-7,3'-pyrrolidine]-2,2'(3H)-diylidène)diacétate de diéthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-(4,5-dihydro-6-methoxy-4,4,5',5'-tetramethylspiro[7H-3-benzazepine-7,3'-pyrrolidine]-2,2'(3H)-diylidene)bis-, diethyl ester [ACD/Index Name]
Diethyl 2,2'-(6-methoxy-4,4,5',5'-tetramethyl-4,5-dihydro-2'H-spiro[3-benzazepine-7,3'-pyrrolidine]-2,2'(3H)-diylidene)diacetate [ACD/IUPAC Name]
Diethyl-2,2'-(6-methoxy-4,4,5',5'-tetramethyl-4,5-dihydro-2'H-spiro[3-benzazepine-7,3'-pyrrolidine]-2,2'(3H)-diyliden)diacetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 118.19
ACD/KOC (pH 5.5): 1019.73
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.05
ACD/KOC (pH 7.4): 1165.16
Polar Surface Area: 86 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

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