ChemSpider 2D Image | N~2~-[(2R)-2-Ethylhexyl]-N~4~,N~6~-bis{4-[5-(2-methyl-2-butanyl)-1,3-benzoxazol-2-yl]phenyl}-1,3,5-triazine-2,4,6-triamine | C47H56N8O2

N2-[(2R)-2-Ethylhexyl]-N4,N6-bis{4-[5-(2-methyl-2-butanyl)-1,3-benzoxazol-2-yl]phenyl}-1,3,5-triazine-2,4,6-triamine

  • Molecular FormulaC47H56N8O2
  • Average mass765.000 Da
  • Monoisotopic mass764.452637 Da
  • ChemSpider ID34989486

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Triazine-2,4,6-triamine, N2,N4-bis[4-[5-(1,1-dimethylpropyl)-2-benzoxazolyl]phenyl]-N6-[(2R)-2-ethylhexyl]- [ACD/Index Name]
N2-[(2R)-2-Ethylhexyl]-N4,N6-bis{4-[5-(2-methyl-2-butanyl)-1,3-benzoxazol-2-yl]phenyl}-1,3,5-triazin-2,4,6-triamin [German] [ACD/IUPAC Name]
N2-[(2R)-2-Ethylhexyl]-N4,N6-bis{4-[5-(2-methyl-2-butanyl)-1,3-benzoxazol-2-yl]phenyl}-1,3,5-triazine-2,4,6-triamine [ACD/IUPAC Name]
N2-[(2R)-2-Éthylhexyl]-N4,N6-bis{4-[5-(2-méthyl-2-butanyl)-1,3-benzoxazol-2-yl]phényl}-1,3,5-triazine-2,4,6-triamine [French] [ACD/IUPAC Name]
288254-16-0 [RN]
ETHYLHEXYL BIS-ISOPENTYLBENZOXAZOLYLPHENYL MELAMINE
UNII-BU9H717REF

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

Density: 1.2±0.1 g/cm3
Boiling Point: 824.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.6±37.1 °C
Index of Refraction: 1.631
Molar Refractivity: 233.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 14.37
ACD/LogD (pH 5.5): 12.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 127 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 653.8±3.0 cm3

Click to predict properties on the Chemicalize site


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