ChemSpider 2D Image | 3-Iodo-4-(1-piperidinylmethyl)benzoic acid | C13H16INO2

3-Iodo-4-(1-piperidinylmethyl)benzoic acid

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960145

More details:






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

3-Iod-4-(1-piperidinylmethyl)benzoesäure [German] [ACD/IUPAC Name]
3-Iodo-4-(1-piperidinylmethyl)benzoic acid [ACD/IUPAC Name]
Acide 3-iodo-4-(1-pipéridinylméthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(1-piperidinylmethyl)- [ACD/Index Name]
1131614-61-3 [RN]
3-iodanyl-4-(piperidin-1-ylmethyl)benzoic acid
3-iodo-4-(piperidin-1-ylmethyl)benzoic acid
3-iodo-4-(piperidin-1-ylmethyl)benzoicacid
3-iodo-4-(piperidylmethyl)benzoic acid
MFCD11110810 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 423.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 209.9±27.3 °C
Index of Refraction: 1.638
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.96
Polar Surface Area: 41 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 210.4±3.0 cm3

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