ChemSpider 2D Image | N-[(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-beta-alanine | C18H22ClNO6

N-[(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanine

  • Molecular FormulaC18H22ClNO6
  • Average mass383.823 Da
  • Monoisotopic mass383.113556 Da
  • ChemSpider ID64084501

More details:

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

N-[(8-Chlor-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanin [German] [ACD/IUPAC Name]
N-[(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanine [ACD/IUPAC Name]
N-[2-(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acétyl]-N-(tétrahydro-2H-pyran-4-yl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 14.13
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

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