ChemSpider 2D Image | N,N-Diethyl-2-[2-(4-isopropoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]ethanamine | C23H30N4O3

N,N-Diethyl-2-[2-(4-isopropoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]ethanamine

  • Molecular FormulaC23H30N4O3
  • Average mass410.509 Da
  • Monoisotopic mass410.231781 Da
  • ChemSpider ID73962294

More details:

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

14188-81-9 [RN]
1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro- [ACD/Index Name]
N,N-diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine
N,N-Diethyl-2-[2-(4-isopropoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]ethanamin [German] [ACD/IUPAC Name]
N,N-Diethyl-2-[2-(4-isopropoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]ethanamine [ACD/IUPAC Name]
N,N-Diéthyl-2-[2-(4-isopropoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]éthanamine [French] [ACD/IUPAC Name]
Isotonitazene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.4±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 118.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 14.76
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 21.36
ACD/KOC (pH 7.4): 62.40
Polar Surface Area: 76 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 351.7±7.0 cm3

Click to predict properties on the Chemicalize site


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