ChemSpider 2D Image | 2,2',2'',2'''-{[(2R)-3-(4-Aminophenyl)-1,2-propanediyl]dinitrilo}tetraacetic acid | C17H23N3O8

2,2',2'',2'''-{[(2R)-3-(4-Aminophenyl)-1,2-propanediyl]dinitrilo}tetraacetic acid

  • Molecular FormulaC17H23N3O8
  • Average mass397.380 Da
  • Monoisotopic mass397.148529 Da
  • ChemSpider ID32801266

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,2',2'',2'''-{[(2R)-3-(4-Aminophenyl)-1,2-propandiyl]dinitrilo}tetraessigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-{[(2R)-3-(4-Aminophenyl)-1,2-propanediyl]dinitrilo}tetraacetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-{[(2R)-3-(4-aminophényl)-1,2-propanediyl]dinitrilo}tetraacétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 266.5±3.0 cm3

Click to predict properties on the Chemicalize site


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