ChemSpider 2D Image | (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-[(2-cyanoethyl)sulfamoyl]benzoate | C20H19N7O4S

(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-[(2-cyanoethyl)sulfamoyl]benzoate

  • Molecular FormulaC20H19N7O4S
  • Average mass453.474 Da
  • Monoisotopic mass453.121918 Da
  • ChemSpider ID22289745

More details:

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

(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-[(2-cyanoethyl)sulfamoyl]benzoate [ACD/IUPAC Name]
(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl-4-[(2-cyanethyl)sulfamoyl]benzoat [German] [ACD/IUPAC Name]
4-[(2-Cyanoéthyl)sulfamoyl]benzoate de (4-amino-6-anilino-1,3,5-triazin-2-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2-cyanoethyl)amino]sulfonyl]-, [4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 798.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.0±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.78
ACD/KOC (pH 5.5): 177.14
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.78
ACD/KOC (pH 7.4): 177.08
Polar Surface Area: 181 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 313.0±3.0 cm3

Click to predict properties on the Chemicalize site


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