ChemSpider 2D Image | 4-(Cyclohexylamino)-3-iodobenzoic acid | C13H16INO2

4-(Cyclohexylamino)-3-iodobenzoic acid

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960146

More details:

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

1131614-62-4 [RN]
4-(Cyclohexylamino)-3-iodbenzoesäure [German] [ACD/IUPAC Name]
4-(Cyclohexylamino)-3-iodobenzoic acid [ACD/IUPAC Name]
Acide 4-(cyclohexylamino)-3-iodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(cyclohexylamino)-3-iodo- [ACD/Index Name]
4-(cyclohexylamino)-3-iodanyl-benzoic acid
4-(cyclohexylamino)-3-iodobenzoicacid
MFCD11110811 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 455.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.3±27.3 °C
Index of Refraction: 1.668
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 76.80
ACD/KOC (pH 5.5): 392.45
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 8.47
Polar Surface Area: 49 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 206.0±3.0 cm3

Click to predict properties on the Chemicalize site


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