ChemSpider 2D Image | 2-(2-{4-[5-(4,5-Dimethoxy-2-nitrophenyl)-2H-tetrazol-2-yl]phenyl}ethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | C28H30N6O6

2-(2-{4-[5-(4,5-Dimethoxy-2-nitrophenyl)-2H-tetrazol-2-yl]phenyl}ethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC28H30N6O6
  • Average mass546.574 Da
  • Monoisotopic mass546.222656 Da
  • ChemSpider ID72379833

More details:

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

2-(2-{4-[5-(4,5-Dimethoxy-2-nitrophenyl)-2H-tetrazol-2-yl]phenyl}ethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-(2-{4-[5-(4,5-Diméthoxy-2-nitrophényl)-2H-tétrazol-2-yl]phényl}éthyl)-6,7-diméthoxy-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-(2-{4-[5-(4,5-Dimethoxy-2-nitrophenyl)-2H-tetrazol-2-yl]phenyl}ethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 2-[2-[4-[5-(4,5-dimethoxy-2-nitrophenyl)-2H-tetrazol-2-yl]phenyl]ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy- [ACD/Index Name]
2-(4-(5-(4,5-Dimethoxy-2-nitrophenyl)-2H-tetrazol-2-yl)phenethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
849675-45-2 [RN]
CS-15960

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.5±35.7 °C
Index of Refraction: 1.646
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 7.67
ACD/KOC (pH 5.5): 42.39
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 305.32
ACD/KOC (pH 7.4): 1686.77
Polar Surface Area: 130 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 403.5±7.0 cm3

Click to predict properties on the Chemicalize site


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