ChemSpider 2D Image | 2-Amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate | C32H31N3O5

2-Amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID2227432

More details:






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

2-Amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate [ACD/IUPAC Name]
Spiro[4H-1-benzopyran-4,1'(2'H)-[4H]pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, 2-amino-8'-(benzoyloxy)-5,5',6,6',7,8-hexahydro-4',4',6',7,7-pentamethyl-2',5-dioxo- [ACD/Index Name]
2-amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-2',4',5,5',6,6',7,8-octahydrospiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
669719-49-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 757.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3778.24
ACD/KOC (pH 5.5): 12643.27
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3789.10
ACD/KOC (pH 7.4): 12679.60
Polar Surface Area: 123 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 392.1±5.0 cm3

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