ChemSpider 2D Image | 1-[3-Chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]-4-methoxyproline | C19H26ClNO6

1-[3-Chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]-4-methoxyproline

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID54377127

More details:

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

1-[3-Chlor-5-methoxy-4-(3-methylbutoxy)benzoyl]-4-methoxyprolin [German] [ACD/IUPAC Name]
1-[3-Chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]-4-methoxyproline [ACD/IUPAC Name]
1-[3-Chloro-5-méthoxy-4-(3-méthylbutoxy)benzoyl]-4-méthoxyproline [French] [ACD/IUPAC Name]
Proline, 1-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]-4-methoxy- [ACD/Index 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: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 9.18
ACD/KOC (pH 5.5): 81.46
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 85 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

Click to predict properties on the Chemicalize site


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