ChemSpider 2D Image | 1-({6-[(2-Chloro-4-isobutylbenzyl)oxy]-1-methyl-3,4-dihydro-2-naphthalenyl}methyl)-3-azetidinecarboxylic acid | C27H32ClNO3

1-({6-[(2-Chloro-4-isobutylbenzyl)oxy]-1-methyl-3,4-dihydro-2-naphthalenyl}methyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC27H32ClNO3
  • Average mass454.001 Da
  • Monoisotopic mass453.207062 Da
  • ChemSpider ID76757781

More details:

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

1-({6-[(2-Chlor-4-isobutylbenzyl)oxy]-1-methyl-3,4-dihydro-2-naphthalinyl}methyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-({6-[(2-Chloro-4-isobutylbenzyl)oxy]-1-methyl-3,4-dihydro-2-naphthalenyl}methyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[6-[[2-chloro-4-(2-methylpropyl)phenyl]methoxy]-3,4-dihydro-1-methyl-2-naphthalenyl]methyl]- [ACD/Index Name]
Acide 1-({6-[(2-chloro-4-isobutylbenzyl)oxy]-1-méthyl-3,4-dihydro-2-naphtalényl}méthyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 283.93
ACD/KOC (pH 5.5): 386.41
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 283.31
ACD/KOC (pH 7.4): 385.56
Polar Surface Area: 50 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 376.3±3.0 cm3

Click to predict properties on the Chemicalize site


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