ChemSpider 2D Image | 2-([(9-Ethyl-9H-carbazol-3-yl)methyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl 4-[4-(dimethylamino)benzyl]-1-piperazinecarboxylate | C36H47N5O4

2-([(9-Ethyl-9H-carbazol-3-yl)methyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl 4-[4-(dimethylamino)benzyl]-1-piperazinecarboxylate

  • Molecular FormulaC36H47N5O4
  • Average mass613.789 Da
  • Monoisotopic mass613.362793 Da
  • ChemSpider ID5167294

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-(dimethylamino)phenyl]methyl]-, 2-[[(1,1-dimethylethoxy)carbonyl][(9-ethyl-9H-carbazol-3-yl)methyl]amino]ethyl ester [ACD/Index Name]
2-([(9-Ethyl-9H-carbazol-3-yl)methyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl 4-[4-(dimethylamino)benzyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-([(9-Ethyl-9H-carbazol-3-yl)methyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl-4-[4-(dimethylamino)benzyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[4-(Diméthylamino)benzyl]-1-pipérazinecarboxylate de 2-([(9-éthyl-9H-carbazol-3-yl)méthyl]{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyle [French] [ACD/IUPAC Name]

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

Cerep_002884 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 179.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 4959.45
ACD/KOC (pH 5.5): 7092.32
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 64284.10
ACD/KOC (pH 7.4): 91930.27
Polar Surface Area: 70 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 530.0±7.0 cm3

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