ChemSpider 2D Image | 6-[2,3-Dichloro(~2~H_3_)phenyl]-1,2,4-triazine-3,5-diamine | C9H4D3Cl2N5

6-[2,3-Dichloro(2H3)phenyl]-1,2,4-triazine-3,5-diamine

  • Molecular FormulaC9H4D3Cl2N5
  • Average mass259.110 Da
  • Monoisotopic mass258.026672 Da
  • ChemSpider ID78057691

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2,4-Triazine-3,5-diamine, 6-(5,6-dichlorophenyl-2,3,4-d3)- [ACD/Index Name]
6-[2,3-Dichlor(2H3)phenyl]-1,2,4-triazin-3,5-diamin [German] [ACD/IUPAC Name]
6-[2,3-Dichloro(2H3)phenyl]-1,2,4-triazine-3,5-diamine [ACD/IUPAC Name]
6-[2,3-Dichloro(2H3)phényl]-1,2,4-triazine-3,5-diamine [French] [ACD/IUPAC Name]
1132746-94-1 [RN]
Lamotrigine-d3 (2,3-dichlorophenyl-d3)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 503.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.1±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 6.30
ACD/KOC (pH 5.5): 110.57
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.05
ACD/KOC (pH 7.4): 193.70
Polar Surface Area: 91 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 162.9±3.0 cm3

Click to predict properties on the Chemicalize site


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