ChemSpider 2D Image | PA-082 | C33H38N2O5

PA-082

  • Molecular FormulaC33H38N2O5
  • Average mass542.665 Da
  • Monoisotopic mass542.278076 Da
  • ChemSpider ID5254649

More details:






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

1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)-1-piperidinyl]methyl}isochinolin [German] [ACD/IUPAC Name]
1-(3,4-Diméthoxybenzyl)-6,7-diméthoxy-4-{[4-(2-méthoxyphényl)-1-pipéridinyl]méthyl}isoquinoléine [French] [ACD/IUPAC Name]
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)-1-piperidinyl]methyl}isoquinoline [ACD/IUPAC Name]
1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE
1Z3RG3756V
95520-87-9 [RN]
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperidinyl]methyl]- [ACD/Index Name]
PA-082
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperidyl]methyl]isoquinoline
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperidinyl]methyl]isoquinoline
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 158.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 116.10
ACD/KOC (pH 5.5): 467.04
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1663.42
ACD/KOC (pH 7.4): 6691.37
Polar Surface Area: 62 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 466.8±3.0 cm3

Click to predict properties on the Chemicalize site






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