ChemSpider 2D Image | 1-[4-(1-Hexyn-1-yl)benzyl]-3-azetidinecarboxylic acid | C17H21NO2

1-[4-(1-Hexyn-1-yl)benzyl]-3-azetidinecarboxylic acid

  • Molecular FormulaC17H21NO2
  • Average mass271.354 Da
  • Monoisotopic mass271.157227 Da
  • ChemSpider ID24808840

More details:

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

1-[4-(1-Hexin-1-yl)benzyl]-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-[4-(1-Hexyn-1-yl)benzyl]-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[4-(1-hexyn-1-yl)phenyl]methyl]- [ACD/Index Name]
Acide 1-[4-(1-hexyn-1-yl)benzyl]-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
Kinome_1427

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.5±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.46
Polar Surface Area: 41 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 236.1±5.0 cm3

Click to predict properties on the Chemicalize site


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