ChemSpider 2D Image | Benzyl 3-iodo-1-piperidinecarboxylate | C13H16INO2

Benzyl 3-iodo-1-piperidinecarboxylate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID28302709

More details:

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

1353944-49-6 [RN]
1-Piperidinecarboxylic acid, 3-iodo-, phenylmethyl ester [ACD/Index Name]
3-Iodo-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-iodo-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl 3-iodopiperidine-1-carboxylate
Benzyl-3-iod-1-piperidincarboxylat [German] [ACD/IUPAC Name]
1353995-97-7 [RN]
1354009-35-0 [RN]
3-Iodopiperidine-1-carboxylic acid benzyl ester
3-Iodo-piperidine-1-carboxylic acid benzyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 405.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.3±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.81
ACD/KOC (pH 5.5): 1413.74
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.81
ACD/KOC (pH 7.4): 1413.74
Polar Surface Area: 30 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 216.8±5.0 cm3

Click to predict properties on the Chemicalize site


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