ChemSpider 2D Image | benzyl 6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate | C34H36N6O5

benzyl 6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID2656502

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 6-amino-5,7,7-tricyano-8-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3,7,8,8a-tetrahydro-, phenylmethyl ester [ACD/Index Name]
6-Amino-5,7,7-tricyano-8-{3-éthoxy-4-[2-(4-morpholinyl)éthoxy]phényl}-3,7,8,8a-tétrahydro-2(1H)-isoquinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
benzyl 6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Benzyl 6-amino-5,7,7-tricyano-8-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
Benzyl-6-amino-5,7,7-tricyan-8-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-3,7,8,8a-tetrahydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 480.8±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 47.34
ACD/KOC (pH 5.5): 296.97
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 378.14
ACD/KOC (pH 7.4): 2372.25
Polar Surface Area: 158 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 454.9±5.0 cm3

Click to predict properties on the Chemicalize site


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