ChemSpider 2D Image | 7,8-Bis(benzyloxy)-1-(3,4,5-trimethoxybenzyl)isoquinoline | C33H31NO5

7,8-Bis(benzyloxy)-1-(3,4,5-trimethoxybenzyl)isoquinoline

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID57438306

More details:

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

7,8-Bis(benzyloxy)-1-(3,4,5-trimethoxybenzyl)isochinolin [German] [ACD/IUPAC Name]
7,8-Bis(benzyloxy)-1-(3,4,5-triméthoxybenzyl)isoquinoléine [French] [ACD/IUPAC Name]
7,8-Bis(benzyloxy)-1-(3,4,5-trimethoxybenzyl)isoquinoline [ACD/IUPAC Name]
Isoquinoline, 7,8-bis(phenylmethoxy)-1-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
61831-75-2 [RN]
7,8-Bis(benzyloxy)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 227.9±20.4 °C
Index of Refraction: 1.621
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 7968.03
ACD/KOC (pH 5.5): 16913.72
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18479.81
ACD/KOC (pH 7.4): 39227.04
Polar Surface Area: 59 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 437.6±3.0 cm3

Click to predict properties on the Chemicalize site


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