ChemSpider 2D Image | 4-(2-Aminoethyl)-2,5-dihydroxybenzonitrile | C9H10N2O2

4-(2-Aminoethyl)-2,5-dihydroxybenzonitrile

  • Molecular FormulaC9H10N2O2
  • Average mass178.188 Da
  • Monoisotopic mass178.074234 Da
  • ChemSpider ID23221814

More details:

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

4-(2-Aminoethyl)-2,5-dihydroxybenzonitril [German] [ACD/IUPAC Name]
4-(2-Aminoethyl)-2,5-dihydroxybenzonitrile [ACD/IUPAC Name]
4-(2-Aminoéthyl)-2,5-dihydroxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(2-aminoethyl)-2,5-dihydroxy- [ACD/Index Name]
4-(2-Amino-ethyl)-2,5-dihydroxy-benzonitrile
88441-05-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL357822/
MFCD20716518

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

Density: 1.4±0.1 g/cm3
Boiling Point: 422.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 209.4±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 47.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 130.8±5.0 cm3

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