ChemSpider 2D Image | 2,3-Dihydroxypropyl 2-[(7-chloro-4-quinolinyl)amino](~2~H_4_)benzoate | C19H13D4ClN2O4

2,3-Dihydroxypropyl 2-[(7-chloro-4-quinolinyl)amino](2H4)benzoate

  • Molecular FormulaC19H13D4ClN2O4
  • Average mass376.827 Da
  • Monoisotopic mass376.112793 Da
  • ChemSpider ID48062986

  • Non-standard isotope - Non-standard isotope

More details:

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

2,3-Dihydroxypropyl 2-[(7-chloro-4-quinolinyl)amino](2H4)benzoate [ACD/IUPAC Name]
2,3-Dihydroxypropyl-2-[(7-chlor-4-chinolinyl)amino](2H4)benzoat [German] [ACD/IUPAC Name]
2-[(7-Chloro-4-quinoléinyl)amino](2H4)benzoate de 2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Benzoic-2,3,4,5-d4 acid, 6-[(7-chloro-4-quinolinyl)amino]-, 2,3-dihydroxypropyl ester [ACD/Index Name]
1794783-64-4 [RN]
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]-3,4,5,6-tetradeuteriobenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 40.73
ACD/KOC (pH 5.5): 386.84
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 94.83
ACD/KOC (pH 7.4): 900.70
Polar Surface Area: 92 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 261.1±3.0 cm3

Click to predict properties on the Chemicalize site


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