ChemSpider 2D Image | 7-Chloro-2-phenyl-5-(3-pyridinyl)-1H-1,3,4-benzotriazepine | C19H13ClN4

7-Chloro-2-phenyl-5-(3-pyridinyl)-1H-1,3,4-benzotriazepine

  • Molecular FormulaC19H13ClN4
  • Average mass332.786 Da
  • Monoisotopic mass332.082886 Da
  • ChemSpider ID17826989

More details:

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

3H-1,3,4-Benzotriazepine, 7-chloro-2-phenyl-5-(3-pyridinyl)- [ACD/Index Name]
7-Chlor-2-phenyl-5-(3-pyridinyl)-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
7-Chloro-2-phenyl-5-(3-pyridinyl)-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
7-Chloro-2-phényl-5-(3-pyridinyl)-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC Name]
7-Chloro-2-phenyl-5-pyridin-3-yl-3H-benzo[e][1,2,4]triazepine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.4±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.4±31.8 °C
Index of Refraction: 1.692
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.17
ACD/KOC (pH 5.5): 2204.89
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 333.17
ACD/KOC (pH 7.4): 2224.93
Polar Surface Area: 50 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 252.5±7.0 cm3

Click to predict properties on the Chemicalize site


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