ChemSpider 2D Image | 2,2'-({6-[(4-Sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)dipropanoic acid | C16H21N7O6S

2,2'-({6-[(4-Sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)dipropanoic acid

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID26629575

More details:

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

2,2'-({6-[(4-Sulfamoylbenzyl)amino]-1,3,5-triazin-2,4-diyl}diimino)dipropansäure [German] [ACD/IUPAC Name]
2,2'-({6-[(4-Sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)dipropanoic acid [ACD/IUPAC Name]
Acide 2,2'-({6-[(4-sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)dipropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 806.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 441.8±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 104.7±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

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