ChemSpider 2D Image | N-{[2-(2,3-Dichlorobenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}-N-(3-methylbutyl)-beta-alanine | C25H29Cl2NO4

N-{[2-(2,3-Dichlorobenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}-N-(3-methylbutyl)-β-alanine

  • Molecular FormulaC25H29Cl2NO4
  • Average mass478.408 Da
  • Monoisotopic mass477.147369 Da
  • ChemSpider ID68402989

More details:

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

N-{[2-(2,3-Dichlorbenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}-N-(3-methylbutyl)-β-alanin [German] [ACD/IUPAC Name]
N-{[2-(2,3-Dichlorobenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}-N-(3-methylbutyl)-β-alanine [ACD/IUPAC Name]
N-{[2-(2,3-Dichlorobenzyl)-2-méthyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}-N-(3-méthylbutyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-2-methyl-5-benzofuranyl]carbonyl]-N-(3-methylbutyl)- [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: 645.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 765.62
ACD/KOC (pH 5.5): 1652.96
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 13.17
ACD/KOC (pH 7.4): 28.44
Polar Surface Area: 67 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

Click to predict properties on the Chemicalize site


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