Found 1 result

Search term: PKODNLRUHCVLDH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[2-(Aminomethyl)-4-(2-amino-4-methyl-7-quinolinyl)phenoxy]methyl}benzonitrile | C25H22N4O

4-{[2-(Aminomethyl)-4-(2-amino-4-methyl-7-quinolinyl)phenoxy]methyl}benzonitrile

  • Molecular FormulaC25H22N4O
  • Average mass394.468 Da
  • Monoisotopic mass394.179352 Da
  • ChemSpider ID128717582

More details:

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

4-{[2-(Aminomethyl)-4-(2-amino-4-methyl-7-chinolinyl)phenoxy]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{[2-(Aminométhyl)-4-(2-amino-4-méthyl-7-quinoléinyl)phénoxy]méthyl}benzonitrile [French] [ACD/IUPAC Name]
4-{[2-(Aminomethyl)-4-(2-amino-4-methyl-7-quinolinyl)phenoxy]methyl}benzonitrile [ACD/IUPAC Name]
Benzonitrile, 4-[[2-(aminomethyl)-4-(2-amino-4-methyl-7-quinolinyl)phenoxy]methyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4473567/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 55.64
Polar Surface Area: 98 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 305.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement