ChemSpider 2D Image | Disperse Orange 149 | C25H26N6O3

Disperse Orange 149

  • Molecular FormulaC25H26N6O3
  • Average mass458.512 Da
  • Monoisotopic mass458.206635 Da
  • ChemSpider ID34451963

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-5-[(E)-2-[4-[(E)-2-phenyldiazenyl]phenyl]diazenyl]- [ACD/Index Name]
6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-5-[(E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl]-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-5-[(E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl]-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
6-Hydroxy-1-(3-isopropoxypropyl)-4-méthyl-2-oxo-5-[(E)-{4-[(E)-phényldiazényl]phényl}diazényl]-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
85136-74-9 [RN]
Disperse Orange 149
6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-5-[(E)-[4-[(E)-phenylazo]phenyl]azo]pyridine-3-carbonitrile
6-HYDROXY-1-(3-ISOPROPOXYPROPYL)-4-METHYL-2-OXO-5-[(E)-2-{4-[(E)-2-PHENYLDIAZEN-1-YL]PHENYL}DIAZEN-1-YL]PYRIDINE-3-CARBONITRILE
6-HYDROXY-1-(3-ISOPROPOXYPROPYL)-4-METHYL-2-OXO-5-[4-(PHENYLAZO)PHENYLAZO]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
6-hydroxy-4-methyl-2-oxo-5-[(E)-[4-[(E)-phenyldiazenyl]phenyl]diazenyl]-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.48
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 123 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 373.9±7.0 cm3

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