ChemSpider 2D Image | TCMDC-131606 | C12H15Cl2N5O

TCMDC-131606

  • Molecular FormulaC12H15Cl2N5O
  • Average mass316.186 Da
  • Monoisotopic mass315.065369 Da
  • ChemSpider ID24571582

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[(3,4-dichlorophenyl)methoxy]-1,6-dihydro-6,6-dimethyl- [ACD/Index Name]
N-[(3,4-Dichlorbenzyl)oxy]-6,6-dimethyl-3,6-dihydro-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-[(3,4-Dichlorobenzyl)oxy]-6,6-dimethyl-3,6-dihydro-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-[(3,4-Dichlorobenzyl)oxy]-6,6-diméthyl-3,6-dihydro-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
TCMDC-131606
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.228168529 GlaxoSmithKline Malaria Set

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

Density: 1.5±0.1 g/cm3
Boiling Point: 421.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.9±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 77.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 28.85
Polar Surface Area: 84 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 213.2±7.0 cm3

Click to predict properties on the Chemicalize site


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