ChemSpider 2D Image | 6-[(4-Iodobenzyl)amino]-4,4-dimethylhexanoic acid | C15H22INO2

6-[(4-Iodobenzyl)amino]-4,4-dimethylhexanoic acid

  • Molecular FormulaC15H22INO2
  • Average mass375.245 Da
  • Monoisotopic mass375.069519 Da
  • ChemSpider ID48817566

More details:

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

6-[(4-Iodbenzyl)amino]-4,4-dimethylhexansäure [German] [ACD/IUPAC Name]
6-[(4-Iodobenzyl)amino]-4,4-dimethylhexanoic acid [ACD/IUPAC Name]
Acide 6-[(4-iodobenzyl)amino]-4,4-diméthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[(4-iodophenyl)methyl]amino]-4,4-dimethyl- [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: 439.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.4±24.6 °C
Index of Refraction: 1.569
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 7.38
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 8.15
Polar Surface Area: 49 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

Click to predict properties on the Chemicalize site


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