ChemSpider 2D Image | 2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitrile | C11H13N3O4

2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitrile

  • Molecular FormulaC11H13N3O4
  • Average mass251.239 Da
  • Monoisotopic mass251.090607 Da
  • ChemSpider ID21804961

More details:






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

2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitril [German] [ACD/IUPAC Name]
2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitrile [ACD/IUPAC Name]
2-[(2,2-Diméthoxyéthyl)amino]-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(2,2-dimethoxyethyl)amino]-5-nitro- [ACD/Index Name]
2-((2,2-Dimethoxyethyl)amino)-5-nitrobenzonitrile
2-(2,2-dimethoxyethylamino)-5-nitrobenzonitrile
2-[(2,2-dimethoxyethyl)amino]-5-nitrobenzenecarbonitrile
945299-08-1 [RN]

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

MFCD09455385 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 430.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.9±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.05
ACD/KOC (pH 5.5): 168.46
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.05
ACD/KOC (pH 7.4): 168.46
Polar Surface Area: 100 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 198.2±5.0 cm3

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