ChemSpider 2D Image | 3-[4-({(3-Cyclopentylpentanoyl)[4-(1-decyn-1-yl)benzyl]amino}methyl)phenyl]propanoic acid | C37H51NO3

3-[4-({(3-Cyclopentylpentanoyl)[4-(1-decyn-1-yl)benzyl]amino}methyl)phenyl]propanoic acid

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID9927981

More details:

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

3-[4-({(3-Cyclopentylpentanoyl)[4-(1-decin-1-yl)benzyl]amino}methyl)phenyl]propansäure [German] [ACD/IUPAC Name]
3-[4-({(3-Cyclopentylpentanoyl)[4-(1-decyn-1-yl)benzyl]amino}methyl)phenyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[4-({(3-cyclopentylpentanoyl)[4-(1-décyn-1-yl)benzyl]amino}méthyl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[(3-cyclopentyl-1-oxopentyl)[[4-(1-decyn-1-yl)phenyl]methyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 711.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 383.9±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.44
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 790183.50
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 44111.98
ACD/KOC (pH 7.4): 12446.73
Polar Surface Area: 58 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 517.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement