ChemSpider 2D Image | 5-Chloro-N~6~-(3,4-dichlorobenzyl)-2,4,6-quinazolinetriamine | C15H12Cl3N5

5-Chloro-N6-(3,4-dichlorobenzyl)-2,4,6-quinazolinetriamine

  • Molecular FormulaC15H12Cl3N5
  • Average mass368.648 Da
  • Monoisotopic mass367.015839 Da
  • ChemSpider ID23143438

More details:

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

2,4,6-Quinazolinetriamine, 5-chloro-N6-[(3,4-dichlorophenyl)methyl]- [ACD/Index Name]
5-Chlor-N6-(3,4-dichlorbenzyl)-2,4,6-chinazolintriamin [German] [ACD/IUPAC Name]
5-Chloro-N6-(3,4-dichlorobenzyl)-2,4,6-quinazolinetriamine [ACD/IUPAC Name]
5-Chloro-N6-(3,4-dichlorobenzyl)-2,4,6-quinazolinetriamine [French] [ACD/IUPAC Name]
5-Chloro-N*6*-(3,4-dichloro-benzyl)-quinazoline-2,4,6-triamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL300189/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 641.3±65.0 °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: 341.6±34.3 °C
Index of Refraction: 1.789
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 11.96
ACD/KOC (pH 5.5): 51.14
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 414.38
ACD/KOC (pH 7.4): 1771.19
Polar Surface Area: 90 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 230.6±3.0 cm3

Click to predict properties on the Chemicalize site


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