ChemSpider 2D Image | 2,2'-{[6-({4-[(2-Methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazine-2,4-diyl]bis(imino-4,1-phenylene)}bis(3-ethylheptanoic acid) | C44H59N7O5

2,2'-{[6-({4-[(2-Methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazine-2,4-diyl]bis(imino-4,1-phenylene)}bis(3-ethylheptanoic acid)

  • Molecular FormulaC44H59N7O5
  • Average mass765.983 Da
  • Monoisotopic mass765.457764 Da
  • ChemSpider ID8388092

More details:

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

2,2'-{[6-({4-[(2-Methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazin-2,4-diyl]bis(imino-4,1-phenylen)}bis(3-ethylheptansäure) [German] [ACD/IUPAC Name]
2,2'-{[6-({4-[(2-Methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazine-2,4-diyl]bis(imino-4,1-phenylene)}bis(3-ethylheptanoic acid) [ACD/IUPAC Name]
Acide 2,2'-{[6-({4-[(2-méthyl-2-propanyl)carbamoyl]phényl}amino)-1,3,5-triazine-2,4-diyl]bis(imino-4,1-phénylène)}bis(3-éthylheptanoïque) [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis[α-(1-ethylpentyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 223.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 14099.19
ACD/KOC (pH 5.5): 7100.98
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 56.32
ACD/KOC (pH 7.4): 28.36
Polar Surface Area: 178 Å2
Polarizability: 88.5±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 645.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement