ChemSpider 2D Image | Isopropyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate | C21H20N2O3

Isopropyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate

  • Molecular FormulaC21H20N2O3
  • Average mass348.395 Da
  • Monoisotopic mass348.147400 Da
  • ChemSpider ID21120649

More details:

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

4H-Pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-(1-naphthalenyl)-, 1-methylethyl ester [ACD/Index Name]
6-Amino-5-cyano-2-méthyl-4-(1-naphtyl)-4H-pyrane-3-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate [ACD/IUPAC Name]
Isopropyl-6-amino-5-cyan-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 483.69
ACD/KOC (pH 5.5): 2903.80
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 484.65
ACD/KOC (pH 7.4): 2909.56
Polar Surface Area: 85 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

Click to predict properties on the Chemicalize site


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