ChemSpider 2D Image | 2-[(E)-{2,4,6-Tris[(4-methylphenyl)amino]-5-pyrimidinyl}diazenyl]benzoic acid | C32H29N7O2

2-[(E)-{2,4,6-Tris[(4-methylphenyl)amino]-5-pyrimidinyl}diazenyl]benzoic acid

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID57433531

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-{2,4,6-Tris[(4-methylphenyl)amino]-5-pyrimidinyl}diazenyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(E)-{2,4,6-Tris[(4-methylphenyl)amino]-5-pyrimidinyl}diazenyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(E)-{2,4,6-tris[(4-méthylphényl)amino]-5-pyrimidinyl}diazényl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(E)-2-[2,4,6-tris[(4-methylphenyl)amino]-5-pyrimidinyl]diazenyl]- [ACD/Index Name]
2-{(E)-[2,4,6-Tris(4-methylanilino)pyrimidin-5-yl]diazenyl}benzoic acid
61038-79-7 [RN]
BENZOIC ACID, 2-[[2,4,6-TRIS[(4-METHYLPHENYL)AMINO]-5-PYRIMIDINYL]AZO]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.5±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 159.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 914.94
ACD/KOC (pH 5.5): 951.02
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 174.40
ACD/KOC (pH 7.4): 181.27
Polar Surface Area: 124 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 429.2±7.0 cm3

Click to predict properties on the Chemicalize site


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